| SpectraBase Spectrum ID |
KFf9wTPIzIs |
| Name |
3-[5'-(Benzyloxycarbonyl)-5'-isopropyl-3'-(trifluoromethyl)-1'-oxo-4'-azapentyl]-4-benzyl-1,3-(perhydro)oxazol-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
506.202856526 u |
| Formula |
C26H29F3N2O5 |
| InChI |
InChI=1S/C26H29F3N2O5/c1-17(2)23(24(33)35-15-19-11-7-4-8-12-19)30-21(26(27,28)29)14-22(32)31-20(16-36-25(31)34)13-18-9-5-3-6-10-18/h3-12,17,20-21,23,30H,13-16H2,1-2H3/t20-,21-,23-/m0/s1 |
| InChIKey |
ONAKFNMGVVFFMO-FUDKSRODSA-N |
| Molecular Weight |
506.522 g/mol |
| SMILES |
C(N1C(OC[C@@]1(CC=1C=CC=CC1)[H])=O)(C[C@@](C(F)(F)F)(N[C@](C(OCC1=CC=CC=C1)=O)(C(C)C)[H])[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.907509 |
![3-[5'-(Benzyloxycarbonyl)-5'-isopropyl-3'-(trifluoromethyl)-1'-oxo-4'-azapentyl]-4-benzyl-1,3-(perhydro)oxazol-2-one](/api/spectrum/KFf9wTPIzIs/structure.png?h=300&w=458 "3-[5'-(Benzyloxycarbonyl)-5'-isopropyl-3'-(trifluoromethyl)-1'-oxo-4'-azapentyl]-4-benzyl-1,3-(perhydro)oxazol-2-one")
