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Bicyclo[3.1.1]hept-2-ene-2-propanoic acid, .beta.,6,6-trimethyl-, methyl ester, [1.alpha.,2(R*),5.alpha.]-
SpectraBase Compound ID C6TQMBQ9diS
InChI InChI=1S/C14H22O2/c1-9(7-13(15)16-4)11-6-5-10-8-12(11)14(10,2)3/h6,9-10,12H,5,7-8H2,1-4H3/t9?,10-,12-/m1/s1
InChIKey XRGZLZYBIDZJIP-GTFYECCDSA-N
Mol Weight 222.33 g/mol
Molecular Formula C14H22O2
Exact Mass 222.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LlgXmyWChPB
Name Bicyclo[3.1.1]hept-2-ene-2-propanoic acid, .beta.,6,6-trimethyl-, methyl ester, [1.alpha.,2(R*),5.alpha.]-
CAS Registry Number 55544-05-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22O2
InChI InChI=1S/C14H22O2/c1-9(7-13(15)16-4)11-6-5-10-8-12(11)14(10,2)3/h6,9-10,12H,5,7-8H2,1-4H3/t9?,10-,12-/m1/s1
InChIKey XRGZLZYBIDZJIP-GTFYECCDSA-N
Molecular Weight 222.328 g/mol
SMILES [C@]12(C(=CC[C@](C2)(C1(C)C)[H])C(CC(=O)OC)C)[H]
SPLASH splash10-0a4l-5900000000-7db7a9ead2beb7f6f210
Source of Spectrum C-100-3424-0
Synonyms 6,6-Dimethyl-2-(1'-methyl-2'-carbomethoxy ethylbicyclo(3.1.1)hept-2-ene Bicyclo[3.1.1]hept-2-ene-2-propanoic acid, .beta.,6,6-trimethyl-, methyl ester, [1.alpha.,2(r@),5.alpha.]- Bicyclo[3.1.1]hept-2-ene-2-propanoic acid, .beta.,6,6-trimethyl-methyl ester Methyl 3-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)butanoate
Wiley ID 1222847