| SpectraBase Spectrum ID |
9Qa5AP4HjSg |
| Name |
.beta.-ala-.beta.-ala, N,N'-Dibenzyl-2,2'-dimethyl-N-(N-propyloxycarbonyl)-, methyl ester (isomer 1) |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
468.262422262 u |
| Formula |
C27H36N2O5 |
| InChI |
InChI=1S/C27H36N2O5/c1-5-16-34-27(32)29(20-24-14-10-7-11-15-24)17-21(2)25(30)28(18-22(3)26(31)33-4)19-23-12-8-6-9-13-23/h6-15,21-22H,5,16-20H2,1-4H3 |
| InChIKey |
IJKVCTVQHXCVTG-UHFFFAOYSA-N |
| Molecular Weight |
468.594 g/mol |
| SMILES |
C1=CC=C(C=C1)CN(CC(C(N(CC1=CC=CC=C1)CC(C(OC)=O)C)=O)C)C(OCCC)=O |
