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3a,6-Ethano-3aH-indene-4-carboxylic acid, 2,3,4,5,6,7-hexahydro-1,5,5-trimethyl-, ethyl ester, [3aS-(3a.alpha.,4.alpha.,6.alpha.)]-
SpectraBase Compound ID 7qXBXwm8QRZ
InChI InChI=1S/C17H26O2/c1-5-19-15(18)14-16(3,4)12-7-9-17(14)8-6-11(2)13(17)10-12/h12,14H,5-10H2,1-4H3/t12-,14+,17+/m1/s1
InChIKey PFPJHEBAWUIWDO-IFIJOSMWSA-N
Mol Weight 262.39 g/mol
Molecular Formula C17H26O2
Exact Mass 262.19328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 707aq8hpPxL
Name 3a,6-Ethano-3aH-indene-4-carboxylic acid, 2,3,4,5,6,7-hexahydro-1,5,5-trimethyl-, ethyl ester, [3aS-(3a.alpha.,4.alpha.,6.alpha.)]-
CAS Registry Number 117442-68-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H26O2
InChI InChI=1S/C17H26O2/c1-5-19-15(18)14-16(3,4)12-7-9-17(14)8-6-11(2)13(17)10-12/h12,14H,5-10H2,1-4H3/t12-,14+,17+/m1/s1
InChIKey PFPJHEBAWUIWDO-IFIJOSMWSA-N
Molecular Weight 262.393 g/mol
SMILES [C@@]123C(C[C@](CC3)([H])C([C@@]1(C(=O)OCC)[H])(C)C)=C(C)CC2
SPLASH splash10-001i-2920000000-1c28dd2c998fef330734
Source of Spectrum KC-1988-376-23
Synonyms Ethyl (1S,7R,9R)-4,8,8-trimethyltricyclo[5.2.2.0(1,5)]undec-4-ene-9-carboxylate Ethyl (1S,7R,9S)-4,8,8-trimethyltricyclo[5.2.2.0(1,5)]undec-4-ene-9-carboxylate
Wiley ID 1266326