| SpectraBase Spectrum ID |
B8o1sZ0XcuC |
| Name |
6-Isopropyl-1-methoxy-4-methylnaphthalene, monopicrate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
443.132864640 u |
| Formula |
C21H21N3O8 |
| InChI |
InChI=1S/C15H18O.C6H3N3O7/c1-10(2)12-6-7-13-14(9-12)11(3)5-8-15(13)16-4;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 |
LBCHBZFIGRLEHS-UHFFFAOYSA-N |
| Molecular Weight |
443.412 g/mol |
| SMILES |
N(=O)(=O)C1=CC(=C(C(=C1)N(=O)=O)O)N(=O)=O.COC=1C=2C=CC(C(C)C)=CC2C(C)=CC1 |
| Spectrum/Structure Validation Score (Raman) |
0.832323 |
