| SpectraBase Spectrum ID |
Lfzau4w2miG |
| Name |
Phenylalanine, 4-acetylamino-N-T-butoxycarbonyl-3-iodo-, T-butyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
504.112117037 u |
| Formula |
C20H29IN2O5 |
| InChI |
InChI=1S/C20H29IN2O5/c1-12(24)22-15-9-8-13(10-14(15)21)11-16(17(25)27-19(2,3)4)23-18(26)28-20(5,6)7/h8-10,16H,11H2,1-7H3,(H,22,24)(H,23,26) |
| InChIKey |
NWHBUPSARGTIFD-UHFFFAOYSA-N |
| Molecular Weight |
504.365 g/mol |
| SMILES |
C1(=CC(=CC=C1NC(C)=O)CC(C(OC(C)(C)C)=O)NC(OC(C)(C)C)=O)I |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.83609 |
