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(1S,2S,3aS,6aR)-2-hydroxy-5-keto-2,3,3a,4,6,6a-hexahydro-1H-pentalene-1-carboxylic acid methyl ester
SpectraBase Compound ID Hx3WkF0GMhy
InChI InChI=1S/C10H14O4/c1-14-10(13)9-7-4-6(11)2-5(7)3-8(9)12/h5,7-9,12H,2-4H2,1H3/t5-,7-,8+,9+/m1/s1
InChIKey YEEDMQFXOCMPFJ-ZLNHGNLKSA-N
Mol Weight 198.22 g/mol
Molecular Formula C10H14O4
Exact Mass 198.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 28As13Unt1Z
Name (1S,2S,3aS,6aR)-2-hydroxy-5-keto-2,3,3a,4,6,6a-hexahydro-1H-pentalene-1-carboxylic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H14O4
InChI InChI=1S/C10H14O4/c1-14-10(13)9-7-4-6(11)2-5(7)3-8(9)12/h5,7-9,12H,2-4H2,1H3/t5-,7-,8+,9+/m1/s1
InChIKey YEEDMQFXOCMPFJ-ZLNHGNLKSA-N
Molecular Weight 198.218 g/mol
SMILES O[C@@]1([C@]([C@]2([C@@](CC(C2)=O)([H])C1)[H])(C(=O)OC)[H])[H]
SPLASH splash10-0002-2900000000-cce0de51358b5a613ef2
Source of Spectrum QC-9-164-6
Synonyms (1S,2S,3aS,6aR)-2-hydroxy-5-oxo-2,3,3a,4,6,6a-hexahydro-1H-pentalene-1-carboxylic acid methyl ester Methyl (1S,2S,3aS,6aR)-2-hydroxy-5-oxo-2,3,3a,4,6,6a-hexahydro-1H-pentalene-1-carboxylate Methyl (1S,2S,3aS,6aR)-2-oxidanyl-5-oxidanylidene-2,3,3a,4,6,6a-hexahydro-1H-pentalene-1-carboxylate
Wiley ID 870388