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Ethyl ester of (1.alpha.,6.alpha.,7.beta.)-7-[(acetyloxy)methyl]bicyclo[4.1.0]heptane-7-carboxylic acid
SpectraBase Compound ID Ix3KEDaIuLu
InChI InChI=1S/C13H20O4/c1-3-16-12(15)13(8-17-9(2)14)10-6-4-5-7-11(10)13/h10-11H,3-8H2,1-2H3/t10-,11+,13-
InChIKey QODFHCVLGHAXJT-PTEHBNRSSA-N
Mol Weight 240.3 g/mol
Molecular Formula C13H20O4
Exact Mass 240.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D1R5RqvhBWi
Name Ethyl ester of (1.alpha.,6.alpha.,7.beta.)-7-[(acetyloxy)methyl]bicyclo[4.1.0]heptane-7-carboxylic acid
Alternate Name(s) Ethyl (1R,6S)-7-[(acetyloxy)methyl]bicyclo[4.1.0]heptane-7-carboxylate
CAS Registry Number 68582-78-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O4
InChI InChI=1S/C13H20O4/c1-3-16-12(15)13(8-17-9(2)14)10-6-4-5-7-11(10)13/h10-11H,3-8H2,1-2H3/t10-,11+,13-
InChIKey QODFHCVLGHAXJT-PTEHBNRSSA-N
Molecular Weight 240.299 g/mol
SMILES [C@]1([C@@]2(CCCC[C@]12[H])[H])(C(=O)OCC)COC(=O)C
SPLASH splash10-0kai-0900000000-d7de8ac386c2d0704451
Source of Spectrum J-44-791-0
Wiley ID 1242848