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Spiro[bicyclo[2.2.1]heptane-2,1'-[3]cyclopenten]-2'-one, 3-methyl-, (1.alpha.,2.alpha.,3.beta.,4.alpha.)-(.+-.)-
SpectraBase Compound ID Ly26jO3FooD
InChI InChI=1S/C12H16O/c1-8-9-4-5-10(7-9)12(8)6-2-3-11(12)13/h2-3,8-10H,4-7H2,1H3/t8-,9+,10+,12+/m0/s1
InChIKey BMGFWTLTRMWLTO-BTQIBKBOSA-N
Mol Weight 176.26 g/mol
Molecular Formula C12H16O
Exact Mass 176.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LDlWdcVD7ct
Name Spiro[bicyclo[2.2.1]heptane-2,1'-[3]cyclopenten]-2'-one, 3-methyl-, (1.alpha.,2.alpha.,3.beta.,4.alpha.)-(.+-.)-
Alternate Name(s) (1R*,2S*,3S*,4S*)-3-methyl-bicyclo[2.2.1]heptan-2-spiro-5'-cyclopent-2-en-1-one (1R,2S,3S,4S)-3-methylspiro[bicyclo[2.2.1]heptane-2,1'-cyclopentan]-3'-en-2'-one
CAS Registry Number 86510-06-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O
InChI InChI=1S/C12H16O/c1-8-9-4-5-10(7-9)12(8)6-2-3-11(12)13/h2-3,8-10H,4-7H2,1H3/t8-,9+,10+,12+/m0/s1
InChIKey BMGFWTLTRMWLTO-BTQIBKBOSA-N
Molecular Weight 176.259 g/mol
SMILES [C@@]12([C@]3(C[C@]([C@@]2(C)[H])(CC3)[H])[H])C(C=CC1)=O
SPLASH splash10-0a4i-9800000000-8ff3bf16904231ae038e
Source of Spectrum H-66-630-0
Wiley ID 1172704