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3,6-Methanobenzofuran-8-carboxylic acid, octahydro-7-hydroxy-2-oxo-, (3.alpha.,3a.beta.,6.alpha.,7.alpha.,7a.beta.,8S*)-(.+-.)-

View entire compound with spectra: 1 MS (GC)

3,6-Methanobenzofuran-8-carboxylic acid, octahydro-7-hydroxy-2-oxo-, (3.alpha.,3a.beta.,6.alpha.,7.alpha.,7a.beta.,8S*)-(.+-.)-
SpectraBase Compound ID 6dMTVf3W6iB
InChI InChI=1S/C10H12O5/c11-7-3-1-2-4-6(5(3)9(12)13)10(14)15-8(4)7/h3-8,11H,1-2H2,(H,12,13)/t3-,4+,5+,6+,7?,8-/m1/s1
InChIKey KWBBJRDGSPBFNX-LQDXSDGSSA-N
Mol Weight 212.2 g/mol
Molecular Formula C10H12O5
Exact Mass 212.068473 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1tdHbepTiri
Name 3,6-Methanobenzofuran-8-carboxylic acid, octahydro-7-hydroxy-2-oxo-, (3.alpha.,3a.beta.,6.alpha.,7.alpha.,7a.beta.,8S*)-(.+-.)-
CAS Registry Number 79813-35-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12O5
InChI InChI=1S/C10H12O5/c11-7-3-1-2-4-6(5(3)9(12)13)10(14)15-8(4)7/h3-8,11H,1-2H2,(H,12,13)/t3-,4+,5+,6+,7?,8-/m1/s1
InChIKey KWBBJRDGSPBFNX-LQDXSDGSSA-N
Molecular Weight 212.201 g/mol
SMILES OC1[C@@]2(OC([C@@]3([C@@](C(=O)O)([C@]1(CC[C@]23[H])[H])[H])[H])=O)[H]
SPLASH splash10-004i-9200000000-b666707a62a472d34418
Source of Spectrum B-34-1291-0
Synonyms (2RS,10RS)-2-hydroxy-5-oxo-4-oxatricyclo[4.3.1.0(3,7)]decane-10-carboxylic acid 2-Hydroxy-5-oxo-4-oxatricyclo[4.3.1.0(3,7)]decane-10-carboxylic acid
Wiley ID 1210985