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(3R*,3aS*,7R*,7aS*)-methyl-2,3,3a,6,7,7a-hexahydro-7-methoxy-3,3a-dimethyl-1,5(4H)-dioxoindene-7a-carboxylate
SpectraBase Compound ID 7ciWBVKRl6F
InChI InChI=1S/C14H20O5/c1-8-5-10(16)14(12(17)19-4)11(18-3)6-9(15)7-13(8,14)2/h8,11H,5-7H2,1-4H3/t8-,11-,13+,14+/m1/s1
InChIKey CLGDEFMNLKZPSV-BLJJELEKSA-N
Mol Weight 268.31 g/mol
Molecular Formula C14H20O5
Exact Mass 268.131074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D95FTrQvvz1
Name (3R*,3aS*,7R*,7aS*)-methyl-2,3,3a,6,7,7a-hexahydro-7-methoxy-3,3a-dimethyl-1,5(4H)-dioxoindene-7a-carboxylate
CAS Registry Number 118197-91-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O5
InChI InChI=1S/C14H20O5/c1-8-5-10(16)14(12(17)19-4)11(18-3)6-9(15)7-13(8,14)2/h8,11H,5-7H2,1-4H3/t8-,11-,13+,14+/m1/s1
InChIKey CLGDEFMNLKZPSV-BLJJELEKSA-N
Molecular Weight 268.309 g/mol
SMILES [C@]12([C@]([C@](C)(CC2=O)[H])(CC(C[C@]1(OC)[H])=O)C)C(=O)OC
SPLASH splash10-00kr-2900000000-4a9cfa989860ba2b59fd
Source of Spectrum KC-1988-476-19
Synonyms Methyl (1R,3aS,4R,7aS)-4-methoxy-1,7a-dimethyl-3,6-dioxooctahydro-3aH-indene-3a-carboxylate
Wiley ID 1272021