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S-(tert-Butyl) (4E)-3-hydroxy-4-hexenethioate
SpectraBase Compound ID 4bYp26SEytt
InChI InChI=1S/C10H18O2S/c1-5-6-8(11)7-9(12)13-10(2,3)4/h5-6,8,11H,7H2,1-4H3/b6-5+
InChIKey ITDAXVIPVOELOW-AATRIKPKSA-N
Mol Weight 202.31 g/mol
Molecular Formula C10H18O2S
Exact Mass 202.102751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4KmAS7zzlY
Name S-(tert-Butyl) (4E)-3-hydroxy-4-hexenethioate
CAS Registry Number 735269-09-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H18O2S
InChI InChI=1S/C10H18O2S/c1-5-6-8(11)7-9(12)13-10(2,3)4/h5-6,8,11H,7H2,1-4H3/b6-5+
InChIKey ITDAXVIPVOELOW-AATRIKPKSA-N
Molecular Weight 202.312 g/mol
SMILES OC(\C=C\C)CC(=O)SC(C)(C)C
SPLASH splash10-05fr-9100000000-5878a8ae5f64621a6c2e
Source of Spectrum CV-2004-1444-14
Synonyms (E)-3-hydroxy-4-hexenethioic acid S-tert-butyl ester (E)-3-hydroxyhex-4-enethioic acid S-tert-butyl ester 3-Hydroxyhex-4-enethioic acid, S-t-butyl ester S-tert-butyl (E)-3-hydroxyhex-4-enethioate S-tert-butyl (E)-3-oxidanylhex-4-enethioate
Wiley ID 1611479