| SpectraBase Spectrum ID |
C18mtJF4dQK |
| Name |
L-Phenylalanine, N-[(3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carbonyl]-, ethyl ester, (R)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
397.152537459 u |
| Formula |
C22H23NO6 |
| InChI |
InChI=1S/C22H23NO6/c1-3-28-21(26)17(12-14-7-5-4-6-8-14)23-20(25)16-10-9-15-11-13(2)29-22(27)18(15)19(16)24/h4-10,13,17,24H,3,11-12H2,1-2H3,(H,23,25)/t13-,17+/m1/s1 |
| InChIKey |
XXAVUHHKDMGGBR-DYVFJYSZSA-N |
| Molecular Weight |
397.427 g/mol |
| SMILES |
C1(O)=C2C(=CC=C1C(N[C@@](CC1=CC=CC=C1)(C(OCC)=O)[H])=O)C[C@](OC2=O)(C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.824213 |
![l-Phenylalanine, N-[(3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carbonyl]-, ethyl ester, (R)-](/api/spectrum/C18mtJF4dQK/structure.png?h=300&w=458 "l-Phenylalanine, N-[(3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carbonyl]-, ethyl ester, (R)-")
