| SpectraBase Spectrum ID |
5KYVFDtNHo0 |
| Name |
(S)-.alpha.-[[(1,1-dimethylethoxy)carbonyl]amino]-4-(3-methoxy-3-oxo-1-propenyl)benzenepropanoic acid phenylmethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
439.199487652 u |
| Formula |
C25H29NO6 |
| InChI |
InChI=1S/C25H29NO6/c1-25(2,3)32-24(29)26-21(23(28)31-17-20-8-6-5-7-9-20)16-19-12-10-18(11-13-19)14-15-22(27)30-4/h5-15,21H,16-17H2,1-4H3,(H,26,29)/b15-14+/t21-/m0/s1 |
| InChIKey |
WCSWRICHJMGSQN-JLVIMGNISA-N |
| Molecular Weight |
439.508 g/mol |
| SMILES |
C(N[C@](C(OCC=1C=CC=CC1)=O)(CC=1C=CC(\C=C\C(=O)OC)=CC1)[H])(OC(C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.974633 |
![(S)-.alpha.-[[(1,1-dimethylethoxy)carbonyl]amino]-4-(3-methoxy-3-oxo-1-propenyl)benzenepropanoic acid phenylmethyl ester](/api/spectrum/5KYVFDtNHo0/structure.png?h=300&w=458 "(S)-.alpha.-[[(1,1-dimethylethoxy)carbonyl]amino]-4-(3-methoxy-3-oxo-1-propenyl)benzenepropanoic acid phenylmethyl ester")
