| SpectraBase Spectrum ID |
J5mL27hHaKh |
| Name |
Benzoic acid, 2-chloro-5-nitro-, 2-propynyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
238.998535373 u |
| Formula |
C10H6ClNO4 |
| InChI |
InChI=1S/C10H6ClNO4/c1-2-5-16-10(13)8-6-7(12(14)15)3-4-9(8)11/h1,3-4,6H,5H2 |
| InChIKey |
GUDBLDNXOCKJQZ-UHFFFAOYSA-N |
| Molecular Weight |
239.614 g/mol |
| SMILES |
C1(=C(C=CC(=C1)[N+]([O-])=O)Cl)C(OCC#C)=O |
| Spectrum/Structure Validation Score (Raman) |
0.852718 |
