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2-Propene-1-thiol, 3-(4-methoxyphenyl)-, (E)-
SpectraBase Compound ID F3spnI9vQNM
InChI InChI=1S/C10H12OS/c1-11-10-6-4-9(5-7-10)3-2-8-12/h2-7,12H,8H2,1H3/b3-2+
InChIKey QPHWVHACEUFYMF-NSCUHMNNSA-N
Mol Weight 180.26 g/mol
Molecular Formula C10H12OS
Exact Mass 180.060886 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 46fHr4jnxOF
Name 2-Propene-1-thiol, 3-(4-methoxyphenyl)-, (E)-
CAS Registry Number 112654-52-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12OS
InChI InChI=1S/C10H12OS/c1-11-10-6-4-9(5-7-10)3-2-8-12/h2-7,12H,8H2,1H3/b3-2+
InChIKey QPHWVHACEUFYMF-NSCUHMNNSA-N
Molecular Weight 180.265 g/mol
SMILES SC\C=C\c1ccc(cc1)OC
SPLASH splash10-0002-2900000000-37ee5f2886ec2ebcc9a2
Source of Spectrum J-53-853-18
Synonyms (2E)-3-(4-methoxyphenyl)-2-propene-1-thiol (2E)-3-(4-methoxyphenyl)-2-propenyl hydrosulfide (E)-3-(p-methoxyphenyl)-2-propene-1-thiol
Wiley ID 1176064