| SpectraBase Spectrum ID |
JaTXfPzNjNV |
| Name |
Octadecanoic acid, 2-[(4-bromobenzoyl)amino]-, methyl ester, (R)- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
495.234807213 u |
| Formula |
C26H42BrNO3 |
| InChI |
InChI=1S/C26H42BrNO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(26(30)31-2)28-25(29)22-18-20-23(27)21-19-22/h18-21,24H,3-17H2,1-2H3,(H,28,29)/t24-/m1/s1 |
| InChIKey |
QCQICFIAIFALBR-XMMPIXPASA-N |
| Molecular Weight |
496.530 g/mol |
| SMILES |
C(N[C@@](C(=O)OC)(CCCCCCCCCCCCCCCC)[H])(C1=CC=C(C=C1)Br)=O |
![Octadecanoic acid, 2-[(4-bromobenzoyl)amino]-, methyl ester, (R)-](/api/spectrum/JaTXfPzNjNV/structure.png?h=300&w=458 "Octadecanoic acid, 2-[(4-bromobenzoyl)amino]-, methyl ester, (R)-")
