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2-Thiepinmethanol, 4,5,6,7-tetrahydro-.alpha.-(4-methoxyphenyl)-, 1-oxide
SpectraBase Compound ID 1Ioe7mr3H6h
InChI InChI=1S/C14H18O3S/c1-17-12-8-6-11(7-9-12)14(15)13-5-3-2-4-10-18(13)16/h5-9,14-15H,2-4,10H2,1H3
InChIKey XCWLGYIGPOSTLX-UHFFFAOYSA-N
Mol Weight 266.35 g/mol
Molecular Formula C14H18O3S
Exact Mass 266.097666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ars8sicWw7E
Name 2-Thiepinmethanol, 4,5,6,7-tetrahydro-.alpha.-(4-methoxyphenyl)-, 1-oxide
CAS Registry Number 79575-08-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O3S
InChI InChI=1S/C14H18O3S/c1-17-12-8-6-11(7-9-12)14(15)13-5-3-2-4-10-18(13)16/h5-9,14-15H,2-4,10H2,1H3
InChIKey XCWLGYIGPOSTLX-UHFFFAOYSA-N
Molecular Weight 266.355 g/mol
SMILES OC(C=1S(=O)CCCCC1)c1ccc(cc1)OC
SPLASH splash10-000b-0590000000-9614b2728f6704f8bede
Source of Spectrum B-34-1033-0
Synonyms (4-methoxyphenyl)(1-oxido-4,5,6,7-tetrahydro-2-thiepinyl)methanol 2-(1-Hydroxy-1-p-methoxyphenylmethyl)-1-thiacyclohept-2-ene 1-oxide
Wiley ID 1269801