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3a(1H)-Pentalenecarboxylic acid, hexahydro-1-methyl-, (1.alpha.,3a.alpha.,6a.alpha.)-(.+-.)-
SpectraBase Compound ID GQGhJ4QK8r4
InChI InChI=1S/C10H16O2/c1-7-4-6-10(9(11)12)5-2-3-8(7)10/h7-8H,2-6H2,1H3,(H,11,12)/t7?,8-,10-/m1/s1
InChIKey GBSRVFPRPSQPFP-JDOFKEMOSA-N
Mol Weight 168.24 g/mol
Molecular Formula C10H16O2
Exact Mass 168.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5KYnHN7Evjh
Name 3a(1H)-Pentalenecarboxylic acid, hexahydro-1-methyl-, (1.alpha.,3a.alpha.,6a.alpha.)-(.+-.)-
Alternate Name(s) (1R*,5R*)-4-methylbicyclo[3.3.0]octan-1-carboxylic acid (3aR,6aR)-1-methylhexahydro-3a(1H)-pentalenecarboxylic acid
CAS Registry Number 79400-35-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H16O2
InChI InChI=1S/C10H16O2/c1-7-4-6-10(9(11)12)5-2-3-8(7)10/h7-8H,2-6H2,1H3,(H,11,12)/t7?,8-,10-/m1/s1
InChIKey GBSRVFPRPSQPFP-JDOFKEMOSA-N
Molecular Weight 168.236 g/mol
SMILES OC([C@]12[C@@](C(C)CC2)(CCC1)[H])=O
SPLASH splash10-00nf-9400000000-26728803d486bb08ae4e
Source of Spectrum H-64-1129-0
Wiley ID 1164680