| SpectraBase Spectrum ID |
2UW3aCd0h5a |
| Name |
1-Isopropenylnaphthalene, monopicrate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
397.090999828 u |
| Formula |
C19H15N3O7 |
| InChI |
InChI=1S/C13H12.C6H3N3O7/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-9H,1H2,2H3;1-2,10H |
| InChIKey |
OARVDCVTUHVBBZ-UHFFFAOYSA-N |
| Molecular Weight |
397.343 g/mol |
| SMILES |
N(=O)(=O)C=1C(=C(C=C(C1)N(=O)=O)N(=O)=O)O.C=12C=CC=CC1C=CC=C2C(=C)C |
| Spectrum/Structure Validation Score (Raman) |
0.947791 |
