| SpectraBase Spectrum ID |
9uluw3sxirX |
| Name |
(2S)-2-(1,3-Benzodioxol-5-yl)-2-(o-veratrylamino)ethanol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
331.141972775 u |
| Formula |
C18H21NO5 |
| InChI |
InChI=1S/C18H21NO5/c1-21-16-5-3-4-13(18(16)22-2)9-19-14(10-20)12-6-7-15-17(8-12)24-11-23-15/h3-8,14,19-20H,9-11H2,1-2H3/t14-/m1/s1 |
| InChIKey |
IICYQTQMCKOCQL-CQSZACIVSA-N |
| Molecular Weight |
331.368 g/mol |
| SMILES |
C=12C=C([C@](NCC3=C(C(OC)=CC=C3)OC)(CO)[H])C=CC1OCO2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.945777 |
