| SpectraBase Spectrum ID |
J0y7tkRt4Ne |
| Name |
(S)-N-(.alpha.-Carboxyphenylethyl)perylene-3,4-dicarboximide |
| Alternate Name(s) |
(2S)-2-(1,3-dioxo-1H-benzo[10,5]anthra[2,1,9-def]isoquinolin-2(3H)-yl)-3-phenylpropanoic acid |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C31H19NO4 |
| InChI |
InChI=1S/C31H19NO4/c33-29-23-14-12-21-19-10-4-8-18-9-5-11-20(26(18)19)22-13-15-24(28(23)27(21)22)30(34)32(29)25(31(35)36)16-17-6-2-1-3-7-17/h1-15,25H,16H2,(H,35,36)/t25-/m0/s1 |
| InChIKey |
KGQYGBWRLVJGKD-VWLOTQADSA-N |
| Molecular Weight |
469.496 g/mol |
| SMILES |
OC([C@@](N1C(c2ccc3c4c2c(C1=O)ccc4c1c2c(cccc32)ccc1)=O)(Cc1ccccc1)[H])=O |
| SPLASH |
splash10-00di-0009100000-b5778da3ef662e148ba2 |
| Source of Spectrum |
AJ-74-553-5 |
| Wiley ID |
1576773 |
