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2-Propenoic acid, 3-(2,2-dimethylpropoxy)-4,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, [1S-(exo,exo)]-
SpectraBase Compound ID BMFkXmcQjs1
InChI InChI=1S/C18H30O3/c1-8-13(19)21-14-12-9-10-18(7,17(12,5)6)15(14)20-11-16(2,3)4/h8,12,14-15H,1,9-11H2,2-7H3/t12-,14-,15-,18?/m1/s1
InChIKey CNDLNPPHVNOVRW-PZGKNFOESA-N
Mol Weight 294.44 g/mol
Molecular Formula C18H30O3
Exact Mass 294.219495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fi4a43lz9Zy
Name 2-Propenoic acid, 3-(2,2-dimethylpropoxy)-4,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, [1S-(exo,exo)]-
Alternate Name(s) (1S,2R,3S)-3-(2,2-Dimethylpropoxy)4,7,7-timethylbicyclo[2.2.1]hept-2-yl acrylate (1S,2R,3S)-4,7,7-trimethyl-3-(neopentyloxy)bicyclo[2.2.1]hept-2-yl acrylate
CAS Registry Number 85696-02-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H30O3
InChI InChI=1S/C18H30O3/c1-8-13(19)21-14-12-9-10-18(7,17(12,5)6)15(14)20-11-16(2,3)4/h8,12,14-15H,1,9-11H2,2-7H3/t12-,14-,15-,18?/m1/s1
InChIKey CNDLNPPHVNOVRW-PZGKNFOESA-N
Molecular Weight 294.435 g/mol
SMILES C12(C([C@]([H])(CC2)[C@]([C@]1(OCC(C)(C)C)[H])(OC(C=C)=O)[H])(C)C)C
SPLASH splash10-0ab9-9610000000-65f75fbeb77b7d2c73fe
Source of Spectrum H-68-2108-15
Wiley ID 1297481