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(3aR,6aR)-6a-hydroxy-6-keto-2,3,4,5-tetrahydro-1H-pentalene-3a-carboxylic acid ethyl ester
SpectraBase Compound ID CT1IIFU3Z2v
InChI InChI=1S/C11H16O4/c1-2-15-9(13)10-5-3-6-11(10,14)8(12)4-7-10/h14H,2-7H2,1H3/t10-,11-/m0/s1
InChIKey LMQTXTHCMBPHNP-QWRGUYRKSA-N
Mol Weight 212.24 g/mol
Molecular Formula C11H16O4
Exact Mass 212.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D80etAZK9eG
Name (3aR,6aR)-6a-hydroxy-6-keto-2,3,4,5-tetrahydro-1H-pentalene-3a-carboxylic acid ethyl ester
Alternate Name(s) (3aR,6aR)-6a-hydroxy-6-oxo-2,3,4,5-tetrahydro-1H-pentalene-3a-carboxylic acid ethyl ester Ethyl (3aR,6aR)-6a-hydroxy-6-oxo-2,3,4,5-tetrahydro-1H-pentalene-3a-carboxylate Ethyl (3aR,6aR)-6a-oxidanyl-6-oxidanylidene-2,3,4,5-tetrahydro-1H-pentalene-3a-carboxylate
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Formula C11H16O4
InChI InChI=1S/C11H16O4/c1-2-15-9(13)10-5-3-6-11(10,14)8(12)4-7-10/h14H,2-7H2,1H3/t10-,11-/m0/s1
InChIKey LMQTXTHCMBPHNP-QWRGUYRKSA-N
Molecular Weight 212.245 g/mol
SMILES O[C@@]12[C@](C(=O)OCC)(CCC2=O)CCC1
SPLASH splash10-0bt9-1900000000-c5e604fc47db3185146c
Source of Spectrum J-63-9035-4
Wiley ID 1211281