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3-(3',4',4'-Trimethyl-3'b,4',4'a,5'-tetrahydrocyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1'-yl)propionic acid
SpectraBase Compound ID 48ahRDMVCdb
InChI InChI=1S/C13H18N2O2/c1-7-11-9(6-8-12(11)13(8,2)3)15(14-7)5-4-10(16)17/h8,12H,4-6H2,1-3H3,(H,16,17)
InChIKey DTKIYBONEQLVAK-UHFFFAOYSA-N
Mol Weight 234.3 g/mol
Molecular Formula C13H18N2O2
Exact Mass 234.136828 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID uOAAPeLoV7
Name 3-(3',4',4'-Trimethyl-3'b,4',4'a,5'-tetrahydrocyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1'-yl)propionic acid
Alternate Name(s) 3-(3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl)propanoic acid
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Formula C13H18N2O2
InChI InChI=1S/C13H18N2O2/c1-7-11-9(6-8-12(11)13(8,2)3)15(14-7)5-4-10(16)17/h8,12H,4-6H2,1-3H3,(H,16,17)
InChIKey DTKIYBONEQLVAK-UHFFFAOYSA-N
Molecular Weight 234.299 g/mol
SMILES OC(CC[n]1c2c(C3C(C)(C)C3C2)c(n1)C)=O
SPLASH splash10-0aor-2960000000-17da4ef814ca3f910973
Source of Spectrum QF-49-1445-4
Wiley ID 834257