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2-Thiepinmethanol, 4,5,6,7-tetrahydro-.alpha.-(2-methoxyphenyl)-, 1-oxide, (R*,R*)-
SpectraBase Compound ID 6muaaJ2piPb
InChI InChI=1S/C14H18O3S/c1-17-12-8-5-4-7-11(12)14(15)13-9-3-2-6-10-18(13)16/h4-5,7-9,14-15H,2-3,6,10H2,1H3/t14-,18?/m1/s1
InChIKey BGHZSPBTCHQJDD-IKJXHCRLSA-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 4Dcr7JDEcC9
Name 2-Thiepinmethanol, 4,5,6,7-tetrahydro-.alpha.-(2-methoxyphenyl)-, 1-oxide, (R*,R*)-
Alternate Name(s) (R)-(2-methoxyphenyl)(1-oxido-4,5,6,7-tetrahydro-2-thiepinyl)methanol 2-(1-Hydroxy-1-O-methoxyphenylmethyl)-1-thiacyclohept-2-ene 1-oxide (isomer a)
CAS Registry Number 79575-09-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O3S
InChI InChI=1S/C14H18O3S/c1-17-12-8-5-4-7-11(12)14(15)13-9-3-2-6-10-18(13)16/h4-5,7-9,14-15H,2-3,6,10H2,1H3/t14-,18?/m1/s1
InChIKey BGHZSPBTCHQJDD-IKJXHCRLSA-N
Molecular Weight 266.355 g/mol
SMILES O[C@@](C=1[S@](=O)CCCCC1)(c1c(OC)cccc1)[H]
SPLASH splash10-000j-0940000000-02715e848acc0a1dcb7c
Source of Spectrum B-34-1033-0
Wiley ID 1269802