From 23e30cba2c252c05f2c187f24ba187b9ab653cae Mon Sep 17 00:00:00 2001 From: kilian Date: Thu, 16 Jul 2026 13:33:04 +0200 Subject: [PATCH] Dateien nach "Vanilla/3,4-Dihydroxybenzaldehyd" hochladen --- Vanilla/3,4-Dihydroxybenzaldehyd/orca.nmrspec | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/Vanilla/3,4-Dihydroxybenzaldehyd/orca.nmrspec b/Vanilla/3,4-Dihydroxybenzaldehyd/orca.nmrspec index f0fec72..6b7275e 100644 --- a/Vanilla/3,4-Dihydroxybenzaldehyd/orca.nmrspec +++ b/Vanilla/3,4-Dihydroxybenzaldehyd/orca.nmrspec @@ -3,9 +3,9 @@ NMRCouplingFile = "orca_sscc" #property file for couplings NMRSpecFreq = 80.00 #spectrometer freq [MHz] (default 400) PrintLevel = 0 #PrintLevel for debugging info NMRCoal = 1.0 #threshold for merged lines [Hz] (default 1) -NMRREF[1] 31.77 -NMRREF[6] 188.10 +NMRREF[1] 31.11 #31.77 +NMRREF[6] 179.73 #188.10 #NMREquiv - + #end #end equiv nucl block END #essential end of input