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(3R*,3aS*,7aR*)-methyl-2,3,3a,7a-tetrahydro-3,3a-dimethyl-1,5(4H)-dioxoindene-7a-carboxylate
SpectraBase Compound ID EczAgrcDSgX
InChI InChI=1S/C13H16O4/c1-8-6-10(15)13(11(16)17-3)5-4-9(14)7-12(8,13)2/h4-5,8H,6-7H2,1-3H3/t8-,12+,13-/m1/s1
InChIKey IGCIAAADFDDZBT-OXHMUOHRSA-N
Mol Weight 236.27 g/mol
Molecular Formula C13H16O4
Exact Mass 236.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EFVBkM4QJO8
Name (3R*,3aS*,7aR*)-methyl-2,3,3a,7a-tetrahydro-3,3a-dimethyl-1,5(4H)-dioxoindene-7a-carboxylate
CAS Registry Number 118197-97-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O4
InChI InChI=1S/C13H16O4/c1-8-6-10(15)13(11(16)17-3)5-4-9(14)7-12(8,13)2/h4-5,8H,6-7H2,1-3H3/t8-,12+,13-/m1/s1
InChIKey IGCIAAADFDDZBT-OXHMUOHRSA-N
Molecular Weight 236.267 g/mol
SMILES [C@]12([C@]([C@](C)(CC2=O)[H])(CC(C=C1)=O)C)C(=O)OC
SPLASH splash10-000i-1910000000-c5b71d33fd0131f58e81
Source of Spectrum KC-1988-476-17
Synonyms (3S*,3aS*,7aR*)-methyl-2,3,3a,7a-tetrahydro-3,3a-dimethyl-1,5(4H)-dioxoindene-7a-carboxylate Methyl (1R,3aR,7aS)-1,7a-dimethyl-3,6-dioxo-1,2,3,6,7,7a-hexahydro-3aH-indene-3a-carboxylate
Wiley ID 1238087