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1,2-Heptalenedicarboxylic acid, 5,10-dimethyl-7-(1-methylethyl)-, 1-(methyl-D3) ester
SpectraBase Compound ID B94GjK2Z1CG
InChI InChI=1S/C20H22O4/c1-11(2)14-8-6-13(4)17-16(10-14)12(3)7-9-15(19(21)22)18(17)20(23)24-5/h6-11H,1-5H3,(H,21,22)/i5D3
InChIKey CMHYAKBETHAMFH-VPYROQPTSA-N
Mol Weight 329.41 g/mol
Molecular Formula C20H192D3O4
Exact Mass 329.170639 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AcDGkYLY0cE
Name 1,2-Heptalenedicarboxylic acid, 5,10-dimethyl-7-(1-methylethyl)-, 1-(methyl-D3) ester
CAS Registry Number 101391-55-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H19D3O4
InChI InChI=1S/C20H22O4/c1-11(2)14-8-6-13(4)17-16(10-14)12(3)7-9-15(19(21)22)18(17)20(23)24-5/h6-11H,1-5H3,(H,21,22)/i5D3
InChIKey CMHYAKBETHAMFH-VPYROQPTSA-N
Molecular Weight 329.410 g/mol
SMILES OC(C=1C(=C2C(=CC(C(C)C)=CC=C2C)C(=CC1)C)C(=O)OC([2D])([2D])[2D])=O
SPLASH splash10-002f-0093000000-a8eb39660c7bbac05340
Source of Spectrum H-68-1021-0
Synonyms 7-Isopropyl-1-[(2)H(3)]methoxycarbonyl-5,10-dimethylheptalene-2-carboxylic acid
Wiley ID 1324985