| SpectraBase Spectrum ID |
AcccBFI0zJU |
| Name |
Sarcosine, N-(4-nitrobenzoyl)-, isobutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
294.121571683 u |
| Formula |
C14H18N2O5 |
| InChI |
InChI=1S/C14H18N2O5/c1-10(2)9-21-13(17)8-15(3)14(18)11-4-6-12(7-5-11)16(19)20/h4-7,10H,8-9H2,1-3H3 |
| InChIKey |
KTWBHNIUVDHBFS-UHFFFAOYSA-N |
| SMILES |
C1=CC(=CC=C1C(N(CC(OCC(C)C)=O)C)=O)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.914602 |
