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5-Hydroxy-3,3,6,6-tetramethylthiepan-4-one
SpectraBase Compound ID A2XubWnRUas
InChI InChI=1S/C10H18O2S/c1-9(2)5-13-6-10(3,4)8(12)7(9)11/h7,11H,5-6H2,1-4H3
InChIKey CLOHRLRQWUPVRC-UHFFFAOYSA-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 BGsNsceldN1
Name 4-Thiepanone, 5-hydroxy-3,3,6,6-tetramethyl-
CAS Registry Number 4485-40-9
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H18O2S
InChI InChI=1S/C10H18O2S/c1-9(2)5-13-6-10(3,4)8(12)7(9)11/h7,11H,5-6H2,1-4H3
InChIKey CLOHRLRQWUPVRC-UHFFFAOYSA-N
Molecular Weight 202.312 g/mol
SMILES OC1C(C(C)(C)CSCC1(C)C)=O
SPLASH splash10-0a4i-9300000000-58b0d37c4300cd01e365
Source of Spectrum B-25-2680-12
Synonyms 3,3,6,6-tetramethyl-5-oxidanyl-thiepan-4-one 5-Hydroxy-3,3,6,6-tetramethyl-4-thiepanone 5-Hydroxy-3,3,6,6-tetramethylthiepan-4-one
Wiley ID 1199445