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

*Links on SpectraBase are not permalinks.
4-(p-Bromophenyl)-1-[(methoxycarbonyl)methyl]-3-(3'-phenylpropyl)-2-thioxoazetidine
SpectraBase Compound ID 8QqL9UGSXpP
InChI InChI=1S/C21H22BrNO2S/c1-25-19(24)14-23-20(16-10-12-17(22)13-11-16)18(21(23)26)9-5-8-15-6-3-2-4-7-15/h2-4,6-7,10-13,18,20H,5,8-9,14H2,1H3
InChIKey VSCMXSLBQZPQGM-UHFFFAOYSA-N
Mol Weight 432.38 g/mol
Molecular Formula C21H22BrNO2S
Exact Mass 431.055463 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 BvpMKcdhNgH
Name 4-(p-Bromophenyl)-1-[(methoxycarbonyl)methyl]-3-(3'-phenylpropyl)-2-thioxoazetidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22BrNO2S
InChI InChI=1S/C21H22BrNO2S/c1-25-19(24)14-23-20(16-10-12-17(22)13-11-16)18(21(23)26)9-5-8-15-6-3-2-4-7-15/h2-4,6-7,10-13,18,20H,5,8-9,14H2,1H3
InChIKey VSCMXSLBQZPQGM-UHFFFAOYSA-N
Molecular Weight 432.376 g/mol
SMILES C1(N(C(C1CCCc1ccccc1)c1ccc(cc1)Br)CC(=O)OC)=S
SPLASH splash10-01ot-0920200000-b306fe04f8f427981267
Source of Spectrum HE-2005-1566-9
Synonyms Methyl[2-(4-bromophenyl)-3-(3-phenylpropyl)-4-thioxo-1-azetidinyl]acetate
Wiley ID 1613734