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2,3-Butadienoic acid, 3-(2,2-dimethylpropoxy)-4,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, [1S-(exo,exo)]-
SpectraBase Compound ID ADkvisVLgEs
InChI InChI=1S/C19H30O3/c1-8-9-14(20)22-15-13-10-11-19(7,18(13,5)6)16(15)21-12-17(2,3)4/h9,13,15-16H,1,10-12H2,2-7H3/t13-,15-,16-,19?/m1/s1
InChIKey JETVLRONILSBHK-XAUNWSGPSA-N
Mol Weight 306.45 g/mol
Molecular Formula C19H30O3
Exact Mass 306.219495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6MgnyPSPp3E
Name 2,3-Butadienoic acid, 3-(2,2-dimethylpropoxy)-4,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, [1S-(exo,exo)]-
CAS Registry Number 88948-26-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H30O3
InChI InChI=1S/C19H30O3/c1-8-9-14(20)22-15-13-10-11-19(7,18(13,5)6)16(15)21-12-17(2,3)4/h9,13,15-16H,1,10-12H2,2-7H3/t13-,15-,16-,19?/m1/s1
InChIKey JETVLRONILSBHK-XAUNWSGPSA-N
Molecular Weight 306.446 g/mol
SMILES C12(C([C@]([H])(CC2)[C@]([C@]1(OCC(C)(C)C)[H])(OC(C=C=C)=O)[H])(C)C)C
SPLASH splash10-00di-1940000000-1119d40b59c144b68b1d
Source of Spectrum H-68-2112-43
Synonyms (1R,2R,3S)-4,7,7-trimethyl-3-(neopentyloxy)bicyclo[2.2.1]hept-2-yl 2,3-butadienoate (1S,2R,3S)-3-(2,2-Dimethylpropoxy)-4,7,7-trimethylbicyclo[2.2.1]-hept-2-yl 2,3-butadienoate
Wiley ID 1308414