| SpectraBase Spectrum ID |
YN8qIk62Al |
| Name |
1-Isopropylnaphthalene, monopicrate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
399.106649892 u |
| Formula |
C19H17N3O7 |
| InChI |
InChI=1S/C13H14.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/h3-10H,1-2H3;1-2,10H |
| InChIKey |
ZRQQBOGRMKDIMJ-UHFFFAOYSA-N |
| Molecular Weight |
399.359 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) |
0.964489 |
