| 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.]]- |
| Alternate Name(s) |
(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 |
| 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 |
| Wiley ID |
1310139 |
![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.]]-](/api/spectrum/CkWWbEsF1oz/structure.png?h=300&w=458 "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.]]-")
