| SpectraBase Spectrum ID |
3o3f3JTg9EG |
| Name |
2-[(Benzo[1,3]-dioxol-5'-yl)methyl]-3-(N,N-dimethylamino)-2-methylbutane-1,4-diol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
281.162708221 u |
| Formula |
C15H23NO4 |
| InChI |
InChI=1S/C15H23NO4/c1-15(9-18,14(8-17)16(2)3)7-11-4-5-12-13(6-11)20-10-19-12/h4-6,14,17-18H,7-10H2,1-3H3 |
| InChIKey |
IMRRJMIOQGRUII-UHFFFAOYSA-N |
| SMILES |
C(C(N(C)C)CO)(CC=1C=C2OCOC2=CC1)(CO)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.981812 |
![2-[(Benzo[1,3]-dioxol-5'-yl)methyl]-3-(N,N-dimethylamino)-2-methylbutane-1,4-diol](/api/spectrum/3o3f3JTg9EG/structure.png?h=300&w=458 "2-[(Benzo[1,3]-dioxol-5'-yl)methyl]-3-(N,N-dimethylamino)-2-methylbutane-1,4-diol")
