| SpectraBase Spectrum ID |
Kc480IltgyY |
| Name |
3,4-Dihydroxy-L-phenylalanine, N,o,o'-tris(isopropyloxycarbonyl)-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
469.194796192 u |
| Formula |
C22H31NO10 |
| InChI |
InChI=1S/C22H31NO10/c1-12(2)29-20(25)23-16(19(24)28-7)10-15-8-9-17(32-21(26)30-13(3)4)18(11-15)33-22(27)31-14(5)6/h8-9,11-14,16H,10H2,1-7H3,(H,23,25)/t16-/m1/s1 |
| InChIKey |
JUAINZPFVSCUOU-MRXNPFEDSA-N |
| Molecular Weight |
469.487 g/mol |
| SMILES |
C1=CC(=CC(=C1OC(OC(C)C)=O)OC(OC(C)C)=O)C[C@](C(OC)=O)(NC(OC(C)C)=O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.971031 |
