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ETHYL-3,3A,4,5,6,7-HEXAHYDRO-3A-HYDROXY-2-OXOINDEN-1-CARBOXYLATE

View entire compound with spectra: 1 NMR, and 1 MS (GC)

ETHYL-3,3A,4,5,6,7-HEXAHYDRO-3A-HYDROXY-2-OXOINDEN-1-CARBOXYLATE
SpectraBase Compound ID LKwAIExPV2k
InChI InChI=1S/C12H16O4/c1-2-16-11(14)10-8-5-3-4-6-12(8,15)7-9(10)13/h15H,2-7H2,1H3
InChIKey ZTIAHHWISDSLAT-UHFFFAOYSA-N
Mol Weight 224.26 g/mol
Molecular Formula C12H16O4
Exact Mass 224.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Sqz7wFWuPo
Name 3a-hydroxy-2-keto-4,5,6,7-tetrahydro-3H-indene-1-carboxylic acid ethyl ester
Alternate Name(s) 3a-hydroxy-2-oxo-4,5,6,7-tetrahydro-3H-indene-1-carboxylic acid ethyl ester Ethyl 3a-hydroxy-2-oxo-4,5,6,7-tetrahydro-3H-indene-1-carboxylate Ethyl 3a-oxidanyl-2-oxidanylidene-4,5,6,7-tetrahydro-3H-indene-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O4
InChI InChI=1S/C12H16O4/c1-2-16-11(14)10-8-5-3-4-6-12(8,15)7-9(10)13/h15H,2-7H2,1H3
InChIKey ZTIAHHWISDSLAT-UHFFFAOYSA-N
Molecular Weight 224.256 g/mol
SMILES OC12C(=C(C(C2)=O)C(=O)OCC)CCCC1
SPLASH splash10-0ufu-4910000000-1d1d0ee6e98f80ac79fa
Source of Spectrum H-2005-539-9
Wiley ID 1562204