| SpectraBase Spectrum ID |
2ijLcrZIDR5 |
| Name |
L-Leucine, N-(2-bromobenzoyl)-, isohexyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
397.125256763 u |
| Formula |
C19H28BrNO3 |
| InChI |
InChI=1S/C19H28BrNO3/c1-13(2)8-7-11-24-19(23)17(12-14(3)4)21-18(22)15-9-5-6-10-16(15)20/h5-6,9-10,13-14,17H,7-8,11-12H2,1-4H3,(H,21,22) |
| InChIKey |
CCPCPAUWXNHTIV-UHFFFAOYSA-N |
| Molecular Weight |
398.341 g/mol |
| SMILES |
C1=CC=CC(=C1C(NC(C(OCCCC(C)C)=O)CC(C)C)=O)Br |
