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4-[(1S,6S)-6-bicyclo[4.1.0]heptanyl]butanoic acid
SpectraBase Compound ID x5t6mynS4h
InChI InChI=1S/C11H18O2/c12-10(13)5-3-7-11-6-2-1-4-9(11)8-11/h9H,1-8H2,(H,12,13)/t9-,11-/m0/s1
InChIKey OBPHQHXACPUFQF-ONGXEEELSA-N
Mol Weight 182.26 g/mol
Molecular Formula C11H18O2
Exact Mass 182.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4BTUcQ11cE6
Name 4-[(1S,6S)-6-bicyclo[4.1.0]heptanyl]butanoic acid
Alternate Name(s) 4-[(1S,6S)-norcaran-1-yl]butanoic acid 4-[(1S,6S)-norcaran-1-yl]butyric acid
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Formula C11H18O2
InChI InChI=1S/C11H18O2/c12-10(13)5-3-7-11-6-2-1-4-9(11)8-11/h9H,1-8H2,(H,12,13)/t9-,11-/m0/s1
InChIKey OBPHQHXACPUFQF-ONGXEEELSA-N
Molecular Weight 182.263 g/mol
SMILES OC(CCC[C@]12C[C@@]2(CCCC1)[H])=O
SPLASH splash10-000t-9300000000-bb0b0531a0f4ca7ca2c5
Source of Spectrum E1-41-2036-11
Wiley ID 1552294