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4-(Phenylthio)butanal
SpectraBase Compound ID 4DPOrdkN45W
InChI InChI=1S/C10H12OS/c11-8-4-5-9-12-10-6-2-1-3-7-10/h1-3,6-8H,4-5,9H2
InChIKey GCZRORCGBSJNGZ-UHFFFAOYSA-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 3oEenRdlE7E
Name 4-(Phenylthio)butanal
CAS Registry Number 77657-90-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12OS
InChI InChI=1S/C10H12OS/c11-8-4-5-9-12-10-6-2-1-3-7-10/h1-3,6-8H,4-5,9H2
InChIKey GCZRORCGBSJNGZ-UHFFFAOYSA-N
Molecular Weight 180.265 g/mol
SMILES C(=O)CCCSc1ccccc1
SPLASH splash10-0239-1900000000-2e49f550e831bc2a4fc0
Source of Spectrum F-42-6079-0
Synonyms 4-Phenylsulfanylbutanal
Wiley ID 1176063