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2,3,4,5-TETRAHYDRO-1-BENZOTHIEPINE

View entire compound with spectra: 3 NMR, and 1 MS (GC)

2,3,4,5-TETRAHYDRO-1-BENZOTHIEPINE
SpectraBase Compound ID JnKr3m3rrer
InChI InChI=1S/C10H12S/c1-2-7-10-9(5-1)6-3-4-8-11-10/h1-2,5,7H,3-4,6,8H2
InChIKey KZPHSSFCYARZCD-UHFFFAOYSA-N
Mol Weight 164.27 g/mol
Molecular Formula C10H12S
Exact Mass 164.065972 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IFrAZOlqGHQ
Name 1-Benzothiepin, 2,3,4,5-tetrahydro-
CAS Registry Number 4370-78-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12S
InChI InChI=1S/C10H12S/c1-2-7-10-9(5-1)6-3-4-8-11-10/h1-2,5,7H,3-4,6,8H2
InChIKey KZPHSSFCYARZCD-UHFFFAOYSA-N
Molecular Weight 164.266 g/mol
SMILES c1ccc2c(c1)CCCCS2
SPLASH splash10-03ki-2900000000-ab1f50b10a760a8fe92b
Source of Spectrum O-10-999-7
Synonyms 2,3,4,5-Tetrahydro-1-benzothiepine 2,3,4,5-Tetrahydro-1-benzothiepin
Wiley ID 1160587