| SpectraBase Spectrum ID |
BOU0NH304O4 |
| Name |
(E)-3-heptyl-3-dodecenoic acid ethyl ester |
| Alternate Name(s) |
(E)-3-heptyldodec-3-enoic acid ethyl ester
ethyl (E)-3-heptyldodec-3-enoate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H40O2 |
| InChI |
InChI=1S/C21H40O2/c1-4-7-9-11-12-14-16-18-20(19-21(22)23-6-3)17-15-13-10-8-5-2/h18H,4-17,19H2,1-3H3/b20-18+ |
| InChIKey |
PCSBILPVGQJKOK-CZIZESTLSA-N |
| Molecular Weight |
324.549 g/mol |
| SMILES |
C(=O)(C\C(=C\CCCCCCCC)CCCCCCC)OCC |
| SPLASH |
splash10-004i-0019000000-0aa381e37750d44e39f4 |
| Source of Spectrum |
J-58-1951-2 |
| Wiley ID |
1323667 |
