| SpectraBase Spectrum ID |
JfXhp0kKBmD |
| Name |
alpha-[(Tert-butylamino)methyl]-3,4-dihydroxy-alpha-propylbenzyl alcohol, hydrochloride |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
303.160121398 u |
| Formula |
C15H26ClNO3 |
| InChI |
InChI=1S/C15H25NO3.ClH/c1-5-8-15(19,10-16-14(2,3)4)11-6-7-12(17)13(18)9-11;/h6-7,9,16-19H,5,8,10H2,1-4H3;1H |
| InChIKey |
SWDBNXGFLQNUEQ-UHFFFAOYSA-N |
| SMILES |
Cl.OC=1C(=CC(C(CNC(C)(C)C)(O)CCC)=CC1)O |
| Spectrum/Structure Validation Score (Raman) |
0.836887 |
![alpha-[(Tert-butylamino)methyl]-3,4-dihydroxy-alpha-propylbenzyl alcohol, hydrochloride](/api/spectrum/JfXhp0kKBmD/structure.png?h=300&w=458 "alpha-[(Tert-butylamino)methyl]-3,4-dihydroxy-alpha-propylbenzyl alcohol, hydrochloride")
