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2-Phenyloctahydro-1-benzothiophene
SpectraBase Compound ID JCKu40AmQxB
InChI InChI=1S/C14H18S/c1-2-6-11(7-3-1)14-10-12-8-4-5-9-13(12)15-14/h1-3,6-7,12-14H,4-5,8-10H2
InChIKey IJJIPPLQJMWTGR-UHFFFAOYSA-N
Mol Weight 218.36 g/mol
Molecular Formula C14H18S
Exact Mass 218.112922 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2PoHUfHJtTJ
Name 2-Phenyloctahydro-1-benzothiophene
CAS Registry Number 96333-94-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18S
InChI InChI=1S/C14H18S/c1-2-6-11(7-3-1)14-10-12-8-4-5-9-13(12)15-14/h1-3,6-7,12-14H,4-5,8-10H2
InChIKey IJJIPPLQJMWTGR-UHFFFAOYSA-N
Molecular Weight 218.358 g/mol
SMILES c1ccc(C2SC3C(CCCC3)C2)cc1
SPLASH splash10-00ku-7920000000-78ff4b55e8676f2bcda3
Source of Spectrum AD-0-2532-0
Synonyms 2-Phenyl-2,3,3a,4,5,6,7,7a-octahydro-1-benzothiophene 2-Phenyl-2,3,3a,4,5,6,7,7a-octahydrobenzothiophene Benzothiophene, perhydro-2-phenyl- Benzo[b]thiophene, octahydro-2-phenyl-
Wiley ID 1426719