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8-tert-Butyl-5,6-dimethyl-10-[(methylthio)methyl]heptalene-1,2-dicarboxylic acid dimethyl ester
SpectraBase Compound ID 1Ke2oS1BbLS
InChI InChI=1S/C24H30O4S/c1-14-9-10-18(22(25)27-6)21(23(26)28-7)20-16(13-29-8)12-17(24(3,4)5)11-15(2)19(14)20/h9-12H,13H2,1-8H3
InChIKey WRSRHXVBTFFRSR-UHFFFAOYSA-N
Mol Weight 414.56 g/mol
Molecular Formula C24H30O4S
Exact Mass 414.186481 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8Vdn2ltcDLz
Name 8-tert-Butyl-5,6-dimethyl-10-[(methylthio)methyl]heptalene-1,2-dicarboxylic acid dimethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H30O4S
InChI InChI=1S/C24H30O4S/c1-14-9-10-18(22(25)27-6)21(23(26)28-7)20-16(13-29-8)12-17(24(3,4)5)11-15(2)19(14)20/h9-12H,13H2,1-8H3
InChIKey WRSRHXVBTFFRSR-UHFFFAOYSA-N
Molecular Weight 414.560 g/mol
SMILES C=12C(=C(C=CC(=C2C(=CC(=CC1CSC)C(C)(C)C)C)C)C(=O)OC)C(=O)OC
SPLASH splash10-0j4r-0009600000-8729ac4672b7b938f973
Source of Spectrum H-82-1699-7
Synonyms Dimethyl 8-tert-butyl-5,6-dimethyl-10-(methylsulfanylmethyl)heptalene-1,2-dicarboxylate
Wiley ID 815721