For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
9-(3,4-Dimethoxybenzylidene)-4-(3,4-dimethoxyphenyl)-1,2,3,4,5,6,7,8,9-octahydro-2H-cyclohepta[d]pyrimidine-2-thione
SpectraBase Compound ID odqKMolXaD
InChI InChI=1S/C26H30N2O4S/c1-29-20-11-9-16(14-22(20)31-3)13-17-7-5-6-8-19-24(17)27-26(33)28-25(19)18-10-12-21(30-2)23(15-18)32-4/h9-15,25H,5-8H2,1-4H3,(H2,27,28,33)
InChIKey LSMSORYOCZTQOT-UHFFFAOYSA-N
Mol Weight 466.6 g/mol
Molecular Formula C26H30N2O4S
Exact Mass 466.192629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 98TUamZgVaa
Name 9-(3,4-Dimethoxybenzylidene)-4-(3,4-dimethoxyphenyl)-1,2,3,4,5,6,7,8,9-octahydro-2H-cyclohepta[d]pyrimidine-2-thione
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H30N2O4S
InChI InChI=1S/C26H30N2O4S/c1-29-20-11-9-16(14-22(20)31-3)13-17-7-5-6-8-19-24(17)27-26(33)28-25(19)18-10-12-21(30-2)23(15-18)32-4/h9-15,25H,5-8H2,1-4H3,(H2,27,28,33)
InChIKey LSMSORYOCZTQOT-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP 1000EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2746
Molecular Weight 466.596 g/mol
SMILES N1C(NC(C=2CCCCC(C12)=Cc1cc(c(cc1)OC)OC)c1ccc(c(c1)OC)OC)=S
SPLASH splash10-0v00-0906600000-569b2eea516c37734adb
Source of Spectrum Y-54-1582-2b
Wiley ID 1878289