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Methyl {5,5-dimethyl-4-(2'-oxoethyl)cyclopent-1'-enyl]methylthio}acetate
SpectraBase Compound ID HYyzrocsOjF
InChI InChI=1S/C13H20O3S/c1-13(2)10(6-7-14)4-5-11(13)8-17-9-12(15)16-3/h5,7,10H,4,6,8-9H2,1-3H3/t10-/m1/s1
InChIKey SOAQWPHMNHJLFP-SNVBAGLBSA-N
Mol Weight 256.36 g/mol
Molecular Formula C13H20O3S
Exact Mass 256.113316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5maKabS2kp1
Name Methyl {5,5-dimethyl-4-(2'-oxoethyl)cyclopent-1'-enyl]methylthio}acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O3S
InChI InChI=1S/C13H20O3S/c1-13(2)10(6-7-14)4-5-11(13)8-17-9-12(15)16-3/h5,7,10H,4,6,8-9H2,1-3H3/t10-/m1/s1
InChIKey SOAQWPHMNHJLFP-SNVBAGLBSA-N
Molecular Weight 256.360 g/mol
SMILES C1(C(=CC[C@@]1(CC=O)[H])CSCC(=O)OC)(C)C
SPLASH splash10-0a4i-5900000000-7771559b1346c15cc4de
Source of Spectrum H-83-624-2
Wiley ID 846915