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4,7-Methano-1H-indene-2-acetic acid, 3a,4,7,7a-tetrahydro-3-hydroxy-.alpha.-methyl-.alpha.-(1-methylethenyl)-1-oxo-, methyl ester

View entire compound with spectra: 1 MS (GC)

4,7-Methano-1H-indene-2-acetic acid, 3a,4,7,7a-tetrahydro-3-hydroxy-.alpha.-methyl-.alpha.-(1-methylethenyl)-1-oxo-, methyl ester
SpectraBase Compound ID B0wIZBneI5M
InChI InChI=1S/C17H20O4/c1-8(2)17(3,16(20)21-4)13-14(18)11-9-5-6-10(7-9)12(11)15(13)19/h5-6,9-12,18H,1,7H2,2-4H3
InChIKey OBYPTKJWMMMTEH-UHFFFAOYSA-N
Mol Weight 288.34 g/mol
Molecular Formula C17H20O4
Exact Mass 288.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I72yZ59v5LK
Name 4,7-Methano-1H-indene-2-acetic acid, 3a,4,7,7a-tetrahydro-3-hydroxy-.alpha.-methyl-.alpha.-(1-methylethenyl)-1-oxo-, methyl ester
Alternate Name(s) Methyl 2-(3-hydroxy-5-oxotricyclo[5.2.1.0(2,6)]deca-3,8-dien-4-yl)-2,3-dimethyl-3-butenoate Methyl ester of 2,3-dimethyl-2-(3'-hydroxy-1-oxo-3a',4',7',7a'-tetrahydro-4',7'-methanoinden-2'-yl)but-3-enoate
CAS Registry Number 84428-32-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20O4
InChI InChI=1S/C17H20O4/c1-8(2)17(3,16(20)21-4)13-14(18)11-9-5-6-10(7-9)12(11)15(13)19/h5-6,9-12,18H,1,7H2,2-4H3
InChIKey OBYPTKJWMMMTEH-UHFFFAOYSA-N
Molecular Weight 288.343 g/mol
SMILES OC1=C(C(C2C3C=CC(C12)C3)=O)C(C(=O)OC)(C(=C)C)C
SPLASH splash10-03fr-0980000000-95d55db62492cdde18b8
Source of Spectrum B-35-1675-0
Wiley ID 1291817