| SpectraBase Spectrum ID |
BWBEDc89cqR |
| Name |
Trans-N,N-diethyl-3-hydroxy-2,3-dihydro-1,4-benzodioxin-2-carboxamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
251.115758027 u |
| Formula |
C13H17NO4 |
| InChI |
InChI=1S/C13H17NO4/c1-3-14(4-2)12(15)11-13(16)18-10-8-6-5-7-9(10)17-11/h5-8,11,13,16H,3-4H2,1-2H3/t11-,13+/m1/s1 |
| InChIKey |
AQRQHKPUKNTOIN-YPMHNXCESA-N |
| Molecular Weight |
251.282 g/mol |
| SMILES |
[C@]1(OC2=CC=CC=C2O[C@@]1(O)[H])(C(N(CC)CC)=O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.802649 |
