| SpectraBase Spectrum ID |
Ec7IiNVhxeK |
| Name |
trans-Cinnamoylcocaine |
| Alternate Name(s) |
(3S,4R)-8-methyl-3-[(E)-1-oxo-3-phenylprop-2-enoxy]-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester
(3S,4R)-8-methyl-3-[(E)-3-phenylacryloyl]oxy-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester
Cinnamoylcocaine
Methyl (3S,4R)-8-methyl-3-[(E)-3-phenylprop-2-enoyl]oxy-8-azabicyclo[3.2.1]octane-4-carboxylate
Methyl 8-methyl-3-([(2E)-3-phenyl-2-propenoyl]oxy)-8-azabicyclo[3.2.1]octane-2-carboxylate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H23NO4 |
| InChI |
InChI=1S/C19H23NO4/c1-20-14-9-10-15(20)18(19(22)23-2)16(12-14)24-17(21)11-8-13-6-4-3-5-7-13/h3-8,11,14-16,18H,9-10,12H2,1-2H3/b11-8+/t14-,15+,16+,18-/m1/s1 |
| InChIKey |
MQIXMJWNEKUAOZ-VPHBNGJMSA-N |
| Molecular Weight |
329.396 g/mol |
| SMILES |
[C@@]12([C@]([C@@](OC(\C=C\c3ccccc3)=O)(C[C@](N1C)(CC2)[H])[H])(C(=O)OC)[H])[H] |
| SPLASH |
splash10-001i-9100000000-4bb9663916b1a96020f1 |
| Source of Spectrum |
XD-268-0-0 |
| Wiley ID |
1327145 |
