| SpectraBase Spectrum ID |
3H5m06w9xHS |
| Name |
(2R)-2-[N-(1,1-Dimethyl)ethoxycarbonylamino]-1-benzoyloxy-5-bromo-4-trifluoromethylpentane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
453.076255710 u |
| Formula |
C18H23BrF3NO4 |
| InChI |
InChI=1S/C18H23BrF3NO4/c1-17(2,3)27-16(25)23-14(9-13(10-19)18(20,21)22)11-26-15(24)12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3,(H,23,25)/t13?,14-/m1/s1 |
| InChIKey |
HMILITWQGZRBJL-ARLHGKGLSA-N |
| Molecular Weight |
454.284 g/mol |
| SMILES |
C(C(C[C@@](NC(OC(C)(C)C)=O)(COC(=O)C1=CC=CC=C1)[H])CBr)(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.929424 |
![(2R)-2-[N-(1,1-Dimethyl)ethoxycarbonylamino]-1-benzoyloxy-5-bromo-4-trifluoromethylpentane](/api/spectrum/3H5m06w9xHS/structure.png?h=300&w=458 "(2R)-2-[N-(1,1-Dimethyl)ethoxycarbonylamino]-1-benzoyloxy-5-bromo-4-trifluoromethylpentane")
