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2H-Cyclohepta[b]furan-3-carboxylic acid, octahydro-2-oxo-, (3.alpha.,3a.alpha.,8a.alpha.)-
SpectraBase Compound ID 8VqdYJKZxa6
InChI InChI=1S/C10H14O4/c11-9(12)8-6-4-2-1-3-5-7(6)14-10(8)13/h6-8H,1-5H2,(H,11,12)/t6-,7+,8-/m0/s1
InChIKey VOLVEWHPKJUVIU-RNJXMRFFSA-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 DcjZTTxNpBV
Name 2H-Cyclohepta[b]furan-3-carboxylic acid, octahydro-2-oxo-, (3.alpha.,3a.alpha.,8a.alpha.)-
CAS Registry Number 107172-67-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H14O4
InChI InChI=1S/C10H14O4/c11-9(12)8-6-4-2-1-3-5-7(6)14-10(8)13/h6-8H,1-5H2,(H,11,12)/t6-,7+,8-/m0/s1
InChIKey VOLVEWHPKJUVIU-RNJXMRFFSA-N
Molecular Weight 198.218 g/mol
SMILES OC([C@]1(C(O[C@@]2(CCCCC[C@]12[H])[H])=O)[H])=O
SPLASH splash10-0kal-9500000000-c4b8bd10c26dd62697a0
Source of Spectrum J-52-1436-13
Synonyms (3a.alpha.,8a.alpha.)-2-oxooctahydro-2H-cyclohepta[b]furan-3.alpha.-carboxylic acid (3S,3aR,8aR)-2-oxooctahydro-2H-cyclohepta[b]furan-3-carboxylic acid
Wiley ID 1195239