| SpectraBase Spectrum ID |
FLcD3bvoDGq |
| Name |
2,2'-{{alpha-{[9-(dimethylamino)-5H-benzo[A]phenoxazin-5-ylidene]amino}-p-tolyl}imino}diethanol, monohydrochloride |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
518.208468571 u |
| Formula |
C29H31ClN4O3 |
| InChI |
InChI=1S/C29H30N4O3.ClH/c1-32(2)22-11-12-25-27(17-22)36-28-18-26(23-5-3-4-6-24(23)29(28)31-25)30-19-20-7-9-21(10-8-20)33(13-15-34)14-16-35;/h3-12,17-18,34-35H,13-16,19H2,1-2H3;1H/b30-26+; |
| InChIKey |
JNCPLTWAVADAFU-REAKUJNMSA-N |
| Molecular Weight |
519.045 g/mol |
| SMILES |
Cl.OCCN(CCO)C1=CC=C(C\N=C\2C=3C=CC=CC3C=3C(=C2)OC2=C(C=CC(=C2)N(C)C)N3)C=C1 |
| Spectrum/Structure Validation Score (Raman) |
0.887772 |
![2,2'-{{alpha-{[9-(dimethylamino)-5H-benzo[A]phenoxazin-5-ylidene]amino}-p-tolyl}imino}diethanol, monohydrochloride](/api/spectrum/FLcD3bvoDGq/structure.png?h=300&w=458 "2,2'-{{alpha-{[9-(dimethylamino)-5H-benzo[A]phenoxazin-5-ylidene]amino}-p-tolyl}imino}diethanol, monohydrochloride")
