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2,4,6,8,9-Pentathiatricyclo[3.3.1.1(3,7)]decane-1-carboxylic acid, 3,5,7-trimethyl-
SpectraBase Compound ID 6Xmq71j1ec6
InChI InChI=1S/C9H12O2S5/c1-6-4-7(2)13-8(3,12-6)16-9(14-6,15-7)5(10)11/h4H2,1-3H3,(H,10,11)
InChIKey JDXUYSWSRIUMIN-UHFFFAOYSA-N
Mol Weight 312.5 g/mol
Molecular Formula C9H12O2S5
Exact Mass 311.944085 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID cHNKAcpvS
Name 2,4,6,8,9-Pentathiatricyclo[3.3.1.1(3,7)]decane-1-carboxylic acid, 3,5,7-trimethyl-
CAS Registry Number 57274-34-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12O2S5
InChI InChI=1S/C9H12O2S5/c1-6-4-7(2)13-8(3,12-6)16-9(14-6,15-7)5(10)11/h4H2,1-3H3,(H,10,11)
InChIKey JDXUYSWSRIUMIN-UHFFFAOYSA-N
Molecular Weight 312.493 g/mol
SMILES OC(=O)C12SC3(C)CC(S2)(C)SC(S1)(C)S3
SPLASH splash10-0a4i-9400000000-6b0e189023a6cf5bb785
Source of Spectrum EP-7863-0-0
Wiley ID 1312790