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

*Links on SpectraBase are not permalinks.

3-(PARA-CHLOROPHENYL)-4,1-BENZOXATHIEPIN

View entire compound with spectra: 1 NMR, and 1 MS (GC)

3-(PARA-CHLOROPHENYL)-4,1-BENZOXATHIEPIN
SpectraBase Compound ID 9s4ufXyXGNQ
InChI InChI=1S/C15H13ClOS/c16-13-7-5-11(6-8-13)14-10-18-15-4-2-1-3-12(15)9-17-14/h1-8,14H,9-10H2
InChIKey JAISMRAJLFARMD-UHFFFAOYSA-N
Mol Weight 276.78 g/mol
Molecular Formula C15H13ClOS
Exact Mass 276.037564 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 1eEDweyLgSJ
Name 3-(4-chlorophenyl)-3,5-dihydro-2H-4,1-benzoxathiepin
Alternate Name(s) 3-(4-chlorophenyl)-3,5-dihydro-2H-4,1-benzoxathiepine
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H13ClOS
InChI InChI=1S/C15H13ClOS/c16-13-7-5-11(6-8-13)14-10-18-15-4-2-1-3-12(15)9-17-14/h1-8,14H,9-10H2
InChIKey JAISMRAJLFARMD-UHFFFAOYSA-N
Molecular Weight 276.781 g/mol
SMILES c12SCC(OCc2cccc1)c1ccc(cc1)Cl
SPLASH splash10-0udi-0910000000-ad7820be6685e50ebfff
Source of Spectrum SK-26-4473-18
Wiley ID 867548