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2,4,6,8-Tetrathiatricyclo[3.3.1.1(3,7)]decane-1-carboxylic acid, 3,5-dimethyl-
SpectraBase Compound ID G0D1pPv3PpO
InChI InChI=1S/C9H12O2S4/c1-7-3-5-12-8(2,14-7)4-9(13-5,15-7)6(10)11/h5H,3-4H2,1-2H3,(H,10,11)/t5?,7?,8?,9-/m1/s1
InChIKey XUYIPUZHWYFPDH-OMEVNDASSA-N
Mol Weight 280.4 g/mol
Molecular Formula C9H12O2S4
Exact Mass 279.972014 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BNQJPhcJesT
Name 2,4,6,8-Tetrathiatricyclo[3.3.1.1(3,7)]decane-1-carboxylic acid, 3,5-dimethyl-
CAS Registry Number 55955-60-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12O2S4
InChI InChI=1S/C9H12O2S4/c1-7-3-5-12-8(2,14-7)4-9(13-5,15-7)6(10)11/h5H,3-4H2,1-2H3,(H,10,11)/t5?,7?,8?,9-/m1/s1
InChIKey XUYIPUZHWYFPDH-OMEVNDASSA-N
Molecular Weight 280.433 g/mol
SMILES OC(=O)[C@]12CC3(C)SC(S2)(C)CC(S1)S3
SPLASH splash10-00lr-6960000000-49be640edc0630bbf468
Source of Spectrum N-32-310-2
Wiley ID 1283326