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

*Links on SpectraBase are not permalinks.
(1R*,7R*,8S*,11R*)-8-(4-Chlorophenyl)-11-phenyl-9-oxa-2,10-dithia-5-azatricyclo[5.2.2.0(1,5)]undecan-6-one
SpectraBase Compound ID J6y1JcF5zoV
InChI InChI=1S/C19H16ClNO2S2/c20-14-8-6-12(7-9-14)16-15-17(13-4-2-1-3-5-13)25-19(23-16)21(18(15)22)10-11-24-19/h1-9,15-17H,10-11H2/t15-,16+,17-,19+/m0/s1
InChIKey AHVLMSHNDPNXIK-MJQMVNBJSA-N
Mol Weight 389.92 g/mol
Molecular Formula C19H16ClNO2S2
Exact Mass 389.031099 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 1v4BkJoJ6vM
Name (1R*,7R*,8S*,11R*)-8-(4-Chlorophenyl)-11-phenyl-9-oxa-2,10-dithia-5-azatricyclo[5.2.2.0(1,5)]undecan-6-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H16ClNO2S2
InChI InChI=1S/C19H16ClNO2S2/c20-14-8-6-12(7-9-14)16-15-17(13-4-2-1-3-5-13)25-19(23-16)21(18(15)22)10-11-24-19/h1-9,15-17H,10-11H2/t15-,16+,17-,19+/m0/s1
InChIKey AHVLMSHNDPNXIK-MJQMVNBJSA-N
Molecular Weight 389.915 g/mol
SMILES [C@]123N(C(=O)[C@]([C@](O3)(c3ccc(cc3)Cl)[H])([H])[C@@](S2)(c2ccccc2)[H])CCS1
SPLASH splash10-014i-0903000000-75588d05c95e8473f37c
Source of Spectrum QE-12-3900-4
Synonyms (1R,7R,8S,11R)-8-(4-chlorophenyl)-11-phenyl-9-oxa-2,10-dithia-5-azatricyclo[5.2.2.0(1,5)]undecan-6-one
Wiley ID 1586922