| SpectraBase Spectrum ID |
6vw5eUKkjo5 |
| Name |
18O-phenethyl 4-cyanobenzoate |
| Alternate Name(s) |
4-Cyanobenzoic acid 2-phenylethyl ester
2-Phenylethyl 4-cyanobenzoate |
| Comments |
Original formula: C16H13NO[18O] |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H13NO2 |
| InChI |
InChI=1S/C16H13NO2/c17-12-14-6-8-15(9-7-14)16(18)19-11-10-13-4-2-1-3-5-13/h1-9H,10-11H2/i19+2 |
| InChIKey |
BXLGQTMGELVJIW-SPLUINJESA-N |
| Literature Reference DOI |
10.1021/jo3012573 |
| Molecular Weight |
253.285 g/mol |
| SMILES |
c1c(ccc(c1)C([18O]CCc1ccccc1)=O)C#N |
| SPLASH |
splash10-0f89-1900000000-9d6118b70de0bd8e1ed8 |
| Source of Spectrum |
J-77-8348-3i'b |
| Wiley ID |
1745249 |
