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2-Butenoic acid, 3-(2,2-dimethylpropoxy)-4,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, [1S-[1.alpha.,2.alpha.(E),3.alpha.,4.alpha.]]-
SpectraBase Compound ID 9juCLx5OsiM
InChI InChI=1S/C19H32O3/c1-8-9-14(20)22-15-13-10-11-19(7,18(13,5)6)16(15)21-12-17(2,3)4/h8-9,13,15-16H,10-12H2,1-7H3/b9-8+/t13-,15+,16+,19-/m1/s1
InChIKey RTPUHIZGMKQNGX-GNJFLCOJSA-N
Mol Weight 308.5 g/mol
Molecular Formula C19H32O3
Exact Mass 308.235145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CkWWbEsF1oz
Name 2-Butenoic acid, 3-(2,2-dimethylpropoxy)-4,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, [1S-[1.alpha.,2.alpha.(E),3.alpha.,4.alpha.]]-
CAS Registry Number 89156-41-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H32O3
InChI InChI=1S/C19H32O3/c1-8-9-14(20)22-15-13-10-11-19(7,18(13,5)6)16(15)21-12-17(2,3)4/h8-9,13,15-16H,10-12H2,1-7H3/b9-8+/t13-,15+,16+,19-/m1/s1
InChIKey RTPUHIZGMKQNGX-GNJFLCOJSA-N
Molecular Weight 308.462 g/mol
SMILES [C@@]12(C([C@]([H])(CC2)[C@@]([C@@]1(OCC(C)(C)C)[H])(OC(\C=C\C)=O)[H])(C)C)C
SPLASH splash10-00xr-6930000000-fe214a8fd96c7c103675
Source of Spectrum H-68-2111-35
Synonyms (1R,2S,3R,4S)-4,7,7-trimethyl-3-(neopentyloxy)bicyclo[2.2.1]hept-2-yl (2E)-2-butenoate (E)-3-(1S,2R,3S)-3-(2,2-dimethylpropoxy)-4,7,7-trimethylbicyclo[2.2.1]hept-2-yl crotonate
Wiley ID 1310139