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3-Oxabicyclo[3.1.0]hexane-1-carboxylic acid, 4-methoxy-2-oxo-, methyl ester, (1.alpha.,4.alpha.,5.alpha.)-(.+-.)-
SpectraBase Compound ID FBHQFhxcVwv
InChI InChI=1S/C8H10O5/c1-11-5-4-3-8(4,6(9)12-2)7(10)13-5/h4-5H,3H2,1-2H3/t4-,5+,8-/m1/s1
InChIKey PHURYIOUHMBEFG-GLDDHUGJSA-N
Mol Weight 186.16 g/mol
Molecular Formula C8H10O5
Exact Mass 186.052823 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GeURyXKDJKI
Name 3-Oxabicyclo[3.1.0]hexane-1-carboxylic acid, 4-methoxy-2-oxo-, methyl ester, (1.alpha.,4.alpha.,5.alpha.)-(.+-.)-
CAS Registry Number 71295-76-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H10O5
InChI InChI=1S/C8H10O5/c1-11-5-4-3-8(4,6(9)12-2)7(10)13-5/h4-5H,3H2,1-2H3/t4-,5+,8-/m1/s1
InChIKey PHURYIOUHMBEFG-GLDDHUGJSA-N
Molecular Weight 186.163 g/mol
SMILES [C@@]12([C@]([C@@](OC)(OC2=O)[H])([H])C1)C(=O)OC
SPLASH splash10-0a5c-4900000000-baff315f636e4e884976
Source of Spectrum K-112-1885-0
Synonyms Methyl (1R,4S,5S)-4-methoxy-2-oxo-3-oxabicyclo[3.1.0]hexane-1-carboxylate Methyl ester of 4c-methoxy-2-oxo-3-oxabicyclo(3.1.0)hexan-1R-carboxylic acid
Wiley ID 1182368