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Methyl ester of (1.alpha.,6.alpha.,7.alpha.)-tricyclo[4.2.1.0(1,6)]nonone-7-carboxylic acid
SpectraBase Compound ID 8oRIV3nCsfX
InChI InChI=1S/C11H16O2/c1-13-9(12)8-6-10-4-2-3-5-11(8,10)7-10/h8H,2-7H2,1H3/t8-,10-,11+/m1/s1
InChIKey VFQIJAYCEMISBF-IEBDPFPHSA-N
Mol Weight 180.25 g/mol
Molecular Formula C11H16O2
Exact Mass 180.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GHn4sNONuCq
Name Methyl ester of (1.alpha.,6.alpha.,7.alpha.)-tricyclo[4.2.1.0(1,6)]nonone-7-carboxylic acid
Alternate Name(s) Methyl (1R,6S,7S)-tricyclo[4.2.1.0(1,6)]nonane-7-carboxylate
CAS Registry Number 89398-51-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16O2
InChI InChI=1S/C11H16O2/c1-13-9(12)8-6-10-4-2-3-5-11(8,10)7-10/h8H,2-7H2,1H3/t8-,10-,11+/m1/s1
InChIKey VFQIJAYCEMISBF-IEBDPFPHSA-N
Molecular Weight 180.247 g/mol
SMILES [C@]123[C@@](CCCC3)(C1)C[C@@]2(C(=O)OC)[H]
SPLASH splash10-00fu-9800000000-369d7445a85f0c28c3c1
Source of Spectrum J-49-2014-0
Wiley ID 1176508