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

*Links on SpectraBase are not permalinks.
8-chloro-2,2,3a,5-tetramethyl-1,3,10,10a-tetrahydrocyclopenta[c][1]benzazepin-4-one
SpectraBase Compound ID Be7vgRXANoV
InChI InChI=1S/C17H22ClNO/c1-16(2)9-12-7-11-8-13(18)5-6-14(11)19(4)15(20)17(12,3)10-16/h5-6,8,12H,7,9-10H2,1-4H3
InChIKey OTQVPLYJZFNCFU-UHFFFAOYSA-N
Mol Weight 291.82 g/mol
Molecular Formula C17H22ClNO
Exact Mass 291.138992 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 6ImGuJjwOCa
Name 8-chloro-2,2,3a,5-tetramethyl-1,3,10,10a-tetrahydrocyclopenta[c][1]benzazepin-4-one
Appearance Yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22ClNO
InChI InChI=1S/C17H22ClNO/c1-16(2)9-12-7-11-8-13(18)5-6-14(11)19(4)15(20)17(12,3)10-16/h5-6,8,12H,7,9-10H2,1-4H3
InChIKey OTQVPLYJZFNCFU-UHFFFAOYSA-N
Instrument Name LRMS
Ionization Type EI
Reported Formula C17H23ClNO
SMILES c1(cc2c(cc1)N(C(C1(C(C2)CC(C1)(C)C)C)=O)C)Cl
SPLASH splash10-0fbc-0960000000-3c8e1123d11a7949e2d9
Sample Comments dr = 1.3:1
Source of Spectrum CN111018784A
Wiley ID 1877154