| SpectraBase Spectrum ID |
FN4CtdsiJoB |
| Name |
Ethyl 2-(1-benzyl-2-cyanopyrrolid-3-yl)-2-phenylthioacetate isomer |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H24N2O2S |
| InChI |
InChI=1S/C22H24N2O2S/c1-2-26-22(25)21(27-18-11-7-4-8-12-18)19-13-14-24(20(19)15-23)16-17-9-5-3-6-10-17/h3-12,19-21H,2,13-14,16H2,1H3 |
| InChIKey |
MIBKOBCZBGTATN-UHFFFAOYSA-N |
| Molecular Weight |
380.506 g/mol |
| SMILES |
C1(N(CCC1C(C(=O)OCC)Sc1ccccc1)Cc1ccccc1)C#N |
| SPLASH |
splash10-000x-9008000000-a5904c3c2b8503f566d8 |
| Source of Spectrum |
QA-41-810-17 |
| Synonyms |
Ethyl 2-(1-benzyl-2-cyanopyrrolid-3-yl)-2-phenylthioacetate
ethyl (1-benzyl-2-cyano-3-pyrrolidinyl)(phenylsulfanyl)acetate |
| Wiley ID |
861876 |
