| SpectraBase Spectrum ID |
DIZE40p9r6C |
| Name |
1,6-Dimethyl-4-isopropylnaphthalene, monopicrate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
427.137950021 u |
| Formula |
C21H21N3O7 |
| InChI |
InChI=1S/C15H18.C6H3N3O7/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h5-10H,1-4H3;1-2,10H |
| InChIKey |
IKASUJXMWRXKJX-UHFFFAOYSA-N |
| Molecular Weight |
427.413 g/mol |
| SMILES |
N(=O)(=O)C1=CC(=C(C(=C1)N(=O)=O)O)N(=O)=O.CC(C=1C2=C(C=CC(C)=C2)C(C)=CC1)C |
| Spectrum/Structure Validation Score (Raman) |
0.88263 |
