| SpectraBase Spectrum ID |
1fU4VvWUeN6 |
| Name |
Trans-1,3-dihydro-2-cyano-2-(1H-indole-3-carbonyl)-3-(4-methylphenyl)-cyclopropanecarboxylic acid methyl ester |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H18N2O3 |
| InChI |
InChI=1S/C22H18N2O3/c1-13-7-9-14(10-8-13)18-19(21(26)27-2)22(18,12-23)20(25)16-11-24-17-6-4-3-5-15(16)17/h3-11,18-19,24H,1-2H3/t18-,19+,22-/m0/s1 |
| InChIKey |
ATHVCNKAPDXQEK-JQVVWYNYSA-N |
| Molecular Weight |
358.397 g/mol |
| SMILES |
[nH]1c2c(c(c1)C([C@@]1([C@@](C(=O)OC)([C@@]1(c1ccc(cc1)C)[H])[H])C#N)=O)cccc2 |
| SPLASH |
splash10-0002-0093000000-a9cc8953e79a86665fb7 |
| Source of Spectrum |
Y-47-1120-3h |
| Wiley ID |
1667341 |
