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2H-Cyclohepta[b]furan-3-carboxylic acid, octahydro-8-hydroxy-2-oxo-, (3.alpha.,3a.alpha.,8.beta.,8a.alpha.)-
SpectraBase Compound ID 8SvGab4V3pk
InChI InChI=1S/C10H14O5/c11-6-4-2-1-3-5-7(9(12)13)10(14)15-8(5)6/h5-8,11H,1-4H2,(H,12,13)/t5-,6-,7+,8+/m1/s1
InChIKey BVQSVKSKXABEAW-NGJRWZKOSA-N
Mol Weight 214.22 g/mol
Molecular Formula C10H14O5
Exact Mass 214.084124 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID xcwpubnemq
Name 2H-Cyclohepta[b]furan-3-carboxylic acid, octahydro-8-hydroxy-2-oxo-, (3.alpha.,3a.alpha.,8.beta.,8a.alpha.)-
CAS Registry Number 107172-64-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H14O5
InChI InChI=1S/C10H14O5/c11-6-4-2-1-3-5-7(9(12)13)10(14)15-8(5)6/h5-8,11H,1-4H2,(H,12,13)/t5-,6-,7+,8+/m1/s1
InChIKey BVQSVKSKXABEAW-NGJRWZKOSA-N
Molecular Weight 214.217 g/mol
SMILES O[C@]1([C@]2(OC([C@](C(=O)O)([C@]2(CCCC1)[H])[H])=O)[H])[H]
SPLASH splash10-06vl-8900000000-b746b0871b4c006bfb30
Source of Spectrum J-52-1435-13
Synonyms (3a.alpha.,8a.alpha.)-8.beta.-hydroxy-2-oxooctahydo-2H-cyclohepta[b]furan-3.alpha.-carboxylic acid (3S,3aR,8R,8aS)-8-hydroxy-2-oxooctahydro-2H-cyclohepta[b]furan-3-carboxylic acid
Wiley ID 1213207