| SpectraBase Spectrum ID |
2NESSIopdf8 |
| Name |
(S/R)-2-Phthaloylamidopent-4-enoic acid [(2S)-methoxycarbonylpyrrolidinyl]amide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
356.137221747 u |
| Formula |
C19H20N2O5 |
| InChI |
InChI=1S/C19H20N2O5/c1-3-7-14(18(24)20-11-6-10-15(20)19(25)26-2)21-16(22)12-8-4-5-9-13(12)17(21)23/h3-5,8-9,14-15H,1,6-7,10-11H2,2H3/t14-,15+/m1/s1 |
| InChIKey |
FMDCZYROFOLQNN-CABCVRRESA-N |
| Molecular Weight |
356.378 g/mol |
| SMILES |
C1(N(C(C=2C=CC=CC12)=O)[C@@](C(N1[C@](C(=O)OC)(CCC1)[H])=O)(CC=C)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.939396 |
![(S/R)-2-Phthaloylamidopent-4-enoic acid [(2S)-methoxycarbonylpyrrolidinyl]amide](/api/spectrum/2NESSIopdf8/structure.png?h=300&w=458 "(S/R)-2-Phthaloylamidopent-4-enoic acid [(2S)-methoxycarbonylpyrrolidinyl]amide")
