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Propionic acid, 3-(tert-butylthio)-
SpectraBase Compound ID Khd3B3PFin7
InChI InChI=1S/C7H14O2S/c1-7(2,3)10-5-4-6(8)9/h4-5H2,1-3H3,(H,8,9)
InChIKey MMLQWAQADPXFSD-UHFFFAOYSA-N
Mol Weight 162.25 g/mol
Molecular Formula C7H14O2S
Exact Mass 162.071451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BLxe8X3Wftq
Name Propionic acid, 3-(tert-butylthio)-
CAS Registry Number 927-91-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H14O2S
InChI InChI=1S/C7H14O2S/c1-7(2,3)10-5-4-6(8)9/h4-5H2,1-3H3,(H,8,9)
InChIKey MMLQWAQADPXFSD-UHFFFAOYSA-N
Molecular Weight 162.247 g/mol
SMILES OC(CCSC(C)(C)C)=O
SPLASH splash10-0a4i-9100000000-b7b7342ca28f9be64169
Source of Spectrum AD-0-5580-0
Synonyms 3-(tert-Butylsulfanyl)propanoic acid 3-(tert-butylthio)propanoic acid 3-(tert-butylthio)propionic acid
Wiley ID 1158241