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2-METHYL-3-PHENYL-3-(PHENYLTHIO)-2-PROPENAL
SpectraBase Compound ID 56rLpjWK5s3
InChI InChI=1S/C16H14OS/c1-13(12-17)16(14-8-4-2-5-9-14)18-15-10-6-3-7-11-15/h2-12H,1H3/b16-13+
InChIKey ARDUYKLNPPOQIJ-DTQAZKPQSA-N
Mol Weight 254.35 g/mol
Molecular Formula C16H14OS
Exact Mass 254.076536 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5UUBTFeRkse
Name 2-Propenal, 2-methyl-3-phenyl-3-(phenylthio)-, (E)-
CAS Registry Number 130169-41-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14OS
InChI InChI=1S/C16H14OS/c1-13(12-17)16(14-8-4-2-5-9-14)18-15-10-6-3-7-11-15/h2-12H,1H3/b16-13+
InChIKey ARDUYKLNPPOQIJ-DTQAZKPQSA-N
Molecular Weight 254.347 g/mol
SMILES C(\C(=C/(Sc1ccccc1)c1ccccc1)C)=O
SPLASH splash10-014i-0910000000-b9f6d5f6358edc6d517d
Source of Spectrum K-123-1373-8
Synonyms (2E)-2-methyl-3-phenyl-3-(phenylsulfanyl)-2-propenal 2-Methyl-3-phenyl-3-(phenylthio)-2-propenal
Wiley ID 1258026