| SpectraBase Spectrum ID |
1XwJDHpi2EJ |
| Name |
(2S,5S)-2-(4-chlorophenyl)-5-phenyl-1,2-dihydropyrrole-3,4,5-tricarboxylic acid trimethyl ester |
| CAS Registry Number |
131786-18-0 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H20ClNO6 |
| InChI |
InChI=1S/C22H20ClNO6/c1-28-19(25)16-17(20(26)29-2)22(21(27)30-3,14-7-5-4-6-8-14)24-18(16)13-9-11-15(23)12-10-13/h4-12,18,24H,1-3H3/t18-,22-/m0/s1 |
| InChIKey |
ZCOGRWJXPSKAPZ-AVRDEDQJSA-N |
| Molecular Weight |
429.856 g/mol |
| SMILES |
N1[C@](C(=C([C@]1(C(=O)OC)c1ccccc1)C(=O)OC)C(=O)OC)(c1ccc(cc1)Cl)[H] |
| SPLASH |
splash10-00di-0009000000-1ca57d19dc4d10e6df72 |
| Source of Spectrum |
F-46-6478-7 |
| Synonyms |
(2S,5S)-5-(4-chlorophenyl)-2-phenyl-3-pyrroline-2,3,4-tricarboxylic acid trimethyl ester
trimethyl (2S,5S)-2-(4-chlorophenyl)-5-phenyl-1,2-dihydropyrrole-3,4,5-tricarboxylate |
| Wiley ID |
1381139 |
