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Bicyclo[3.1.1]heptane-3-acetic acid, 6,6-dimethyl-2-methylene-, ethyl ester, [1R-(1.alpha.,3.alpha.,5.alpha.)]-
SpectraBase Compound ID K64Cn39NbKa
InChI InChI=1S/C14H22O2/c1-5-16-13(15)7-10-6-11-8-12(9(10)2)14(11,3)4/h10-12H,2,5-8H2,1,3-4H3/t10-,11-,12+/m1/s1
InChIKey ZZMNHSRZYDVWBQ-UTUOFQBUSA-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 8q5vtKb12YT
Name Bicyclo[3.1.1]heptane-3-acetic acid, 6,6-dimethyl-2-methylene-, ethyl ester, [1R-(1.alpha.,3.alpha.,5.alpha.)]-
CAS Registry Number 86777-96-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22O2
InChI InChI=1S/C14H22O2/c1-5-16-13(15)7-10-6-11-8-12(9(10)2)14(11,3)4/h10-12H,2,5-8H2,1,3-4H3/t10-,11-,12+/m1/s1
InChIKey ZZMNHSRZYDVWBQ-UTUOFQBUSA-N
Molecular Weight 222.328 g/mol
SMILES [C@@]12(C([C@@](CC(=O)OCC)(C[C@@](C2)([H])C1(C)C)[H])=C)[H]
SPLASH splash10-066r-6900000000-c90f315c6fb80ee7b88b
Source of Spectrum H-66-1001-0
Synonyms Ethyl ester of (+)-(1R,3R,5S)-2(10)-pinen-3-acetic acid Ethyl[(1R,3R,5R)-6,6-dimethyl-2-methylenebicyclo[3.1.1]hept-3-yl]acetate
Wiley ID 1222848