| SpectraBase Spectrum ID |
ADvX3Q9JNIg |
| Name |
(Z)-2-[(E)-3-Anilino-3-keto-1-methyl-prop-1-enyl]but-2-enedioic acid ditert-butyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
387.204573033 u |
| Formula |
C22H29NO5 |
| InChI |
InChI=1S/C22H29NO5/c1-15(13-18(24)23-16-11-9-8-10-12-16)17(20(26)28-22(5,6)7)14-19(25)27-21(2,3)4/h8-14H,1-7H3,(H,23,24)/b15-13+,17-14- |
| InChIKey |
DMJCWGQMLDYLCF-FBWUVJDOSA-N |
| Molecular Weight |
387.476 g/mol |
| SMILES |
C(\C(\C(=C\C(NC=1C=CC=CC1)=O)C)=C/C(OC(C)(C)C)=O)(OC(C)(C)C)=O |
![(Z)-2-[(E)-3-anilino-3-keto-1-methyl-prop-1-enyl]but-2-enedioic acid ditert-butyl ester](/api/spectrum/ADvX3Q9JNIg/structure.png?h=300&w=458 "(Z)-2-[(E)-3-anilino-3-keto-1-methyl-prop-1-enyl]but-2-enedioic acid ditert-butyl ester")
