| SpectraBase Spectrum ID |
JQ1TKzRqjcr |
| Name |
1-Benzyl-2-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
329.081871076 u |
| Formula |
C18H16ClNO3 |
| InChI |
InChI=1S/C18H16ClNO3/c19-14-8-6-13(7-9-14)17-15(18(22)23)10-16(21)20(17)11-12-4-2-1-3-5-12/h1-9,15,17H,10-11H2,(H,22,23)/t15-,17+/m0/s1 |
| InChIKey |
DQUALKMRWUFRFS-DOTOQJQBSA-N |
| Instrument Name |
Thermo Finnigan Polaris Q |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/ejoc.201900685 |
| Molecular Weight |
329.783 g/mol |
| Quality |
162 |
| Reported Formula |
C18H16ClNO3 |
| SMILES |
OC([C@@]1([C@](N(CC2=CC=CC=C2)C(C1)=O)(C1=CC=C(C=C1)Cl)[H])[H])=O |
| SPLASH |
splash10-000j-2954000000-f02302bfeaa93e4e08cd |
| Sample Comments |
dr = 97:3 (trans/cis) |
| Source of Spectrum |
K1-2019-4715-rac-1i (DOI: 10.1002/ejoc.201900685) |
| Wiley ID |
1891989 |
