| SpectraBase Spectrum ID |
3Hbd7fR8WTd |
| Name |
2-[(Diallylamino)methyl]-4,5-dimethylphenol, hydrochloride |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
267.138992031 u |
| Formula |
C15H22ClNO |
| InChI |
InChI=1S/C15H21NO.ClH/c1-5-7-16(8-6-2)11-14-9-12(3)13(4)10-15(14)17;/h5-6,9-10,17H,1-2,7-8,11H2,3-4H3;1H |
| InChIKey |
WRLXZJDESBZSIS-UHFFFAOYSA-N |
| Molecular Weight |
267.800 g/mol |
| SMILES |
OC1=CC(C)=C(C)C=C1CN(CC=C)CC=C.Cl |
| Spectrum/Structure Validation Score (Raman) |
0.954212 |
![2-[(Diallylamino)methyl]-4,5-dimethylphenol, hydrochloride](/api/spectrum/3Hbd7fR8WTd/structure.png?h=300&w=458 "2-[(Diallylamino)methyl]-4,5-dimethylphenol, hydrochloride")
