| SpectraBase Spectrum ID |
4o8Bq7uCT8Y |
| Name |
(+)-methyl (E)-endo-.beta.-bergamotenoate |
| Alternate Name(s) |
Methyl (2E)-2-methyl-5-[(1R,5R,6S)-6-methyl-2-methylenebicyclo[3.1.1]hept-6-yl]-2-pentenoate |
| CAS Registry Number |
114185-90-9 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H24O2 |
| InChI |
InChI=1S/C16H24O2/c1-11-7-8-13-10-14(11)16(13,3)9-5-6-12(2)15(17)18-4/h6,13-14H,1,5,7-10H2,2-4H3/b12-6+/t13-,14-,16+/m1/s1 |
| InChIKey |
HZGGDIWCFBESTN-SUCCEKNJSA-N |
| Molecular Weight |
248.366 g/mol |
| SMILES |
[C@@]12([C@](CC\C=C\(C(=O)OC)C)(C)[C@@](C2)(CCC1=C)[H])[H] |
| SPLASH |
splash10-00kf-9800000000-d284d5745328a0f44eeb |
| Source of Spectrum |
J-53-2190-2 |
| Wiley ID |
1251650 |
