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

*Links on SpectraBase are not permalinks.
1-(4-methoxyphenyl)-2,7,7-trimethyl-6,8-dihydro-5H-pyrrolo[3,2-c]azepine-4-thione
SpectraBase Compound ID 6WTN1GogMYz
InChI InChI=1S/C18H22N2OS/c1-12-9-15-16(10-18(2,3)11-19-17(15)22)20(12)13-5-7-14(21-4)8-6-13/h5-9H,10-11H2,1-4H3,(H,19,22)
InChIKey NRFNLCSOTXUPPY-UHFFFAOYSA-N
Mol Weight 314.45 g/mol
Molecular Formula C18H22N2OS
Exact Mass 314.145285 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 GFOJuc64SgH
Name 1-(4-methoxyphenyl)-2,7,7-trimethyl-6,8-dihydro-5H-pyrrolo[3,2-c]azepine-4-thione
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22N2OS
InChI InChI=1S/C18H22N2OS/c1-12-9-15-16(10-18(2,3)11-19-17(15)22)20(12)13-5-7-14(21-4)8-6-13/h5-9H,10-11H2,1-4H3,(H,19,22)
InChIKey NRFNLCSOTXUPPY-UHFFFAOYSA-N
Molecular Weight 314.447 g/mol
SMILES N1CC(Cc2c(C1=S)cc([n]2-c1ccc(cc1)OC)C)(C)C
SPLASH splash10-03dj-0039000000-922b23ba56d8666bafb1
Source of Spectrum H1-53-564-4
Synonyms 1-(4-methoxyphenyl)-2,7,7-trimethyl-6,8-dihydro-5H-pyrrol[3,2-c]azepine-4-thione
Wiley ID 817853