| SpectraBase Spectrum ID |
7mFkqdqnAlw |
| Name |
Hexanoic acid, 5-[(4-nitrobenzoyl)oxy]-, methyl ester, (R)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
295.105587265 u |
| Formula |
C14H17NO6 |
| InChI |
InChI=1S/C14H17NO6/c1-10(4-3-5-13(16)20-2)21-14(17)11-6-8-12(9-7-11)15(18)19/h6-10H,3-5H2,1-2H3/t10-/m1/s1 |
| InChIKey |
RJWDTUCVZKLZHV-SNVBAGLBSA-N |
| Molecular Weight |
295.291 g/mol |
| SMILES |
C=1(N(=O)=O)C=CC(C(O[C@@](CCCC(=O)OC)(C)[H])=O)=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.976079 |
![Hexanoic acid, 5-[(4-nitrobenzoyl)oxy]-, methyl ester, (R)-](/api/spectrum/7mFkqdqnAlw/structure.png?h=300&w=458 "Hexanoic acid, 5-[(4-nitrobenzoyl)oxy]-, methyl ester, (R)-")
