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(1R,2S,4R)-3-isopropylidene-5,5-dimethyl-bicyclo[2.1.0]pentane-2-carboxylic acid methyl ester
SpectraBase Compound ID 66BdEIonE0p
InChI InChI=1S/C12H18O2/c1-6(2)7-8(11(13)14-5)10-9(7)12(10,3)4/h8-10H,1-5H3/t8-,9-,10+/m1/s1
InChIKey MKXKEHSYGLJLCQ-BBBLOLIVSA-N
Mol Weight 194.27 g/mol
Molecular Formula C12H18O2
Exact Mass 194.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 275gSSTyGSa
Name (1R,2S,4R)-3-isopropylidene-5,5-dimethyl-bicyclo[2.1.0]pentane-2-carboxylic acid methyl ester
Alternate Name(s) (1R,2S,4R)-5,5-dimethyl-3-propan-2-ylidene-2-bicyclo[2.1.0]pentanecarboxylic acid methyl ester Methyl (1R,2S,4R)-3-isopropylidene-5,5-dimethyl-bicyclo[2.1.0]pentane-2-carboxylate Methyl (1R,2S,4R)-5,5-dimethyl-3-propan-2-ylidene-bicyclo[2.1.0]pentane-2-carboxylate
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Formula C12H18O2
InChI InChI=1S/C12H18O2/c1-6(2)7-8(11(13)14-5)10-9(7)12(10,3)4/h8-10H,1-5H3/t8-,9-,10+/m1/s1
InChIKey MKXKEHSYGLJLCQ-BBBLOLIVSA-N
Molecular Weight 194.274 g/mol
SMILES [C@]12(C(C)(C)[C@@]2([H])[C@@](C1=C(C)C)(C(=O)OC)[H])[H]
SPLASH splash10-000i-1900000000-c5a3a83d6443c2532212
Source of Spectrum AJ-72-529-6
Wiley ID 774836