SpectraBase Spectrum ID |
EpdRNdvRB59 |
Name |
(Benzylmethylamino)tetrolaldehyde, diethyl acetal |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
261.172878983 u |
Formula |
C16H23NO2 |
InChI |
InChI=1S/C16H23NO2/c1-4-18-16(19-5-2)12-9-13-17(3)14-15-10-7-6-8-11-15/h6-8,10-11,16H,4-5,13-14H2,1-3H3 |
InChIKey |
RUFNFWJJLNJAHK-UHFFFAOYSA-N |
Molecular Weight |
261.365 g/mol |
SMILES |
C=1C(=CC=CC1)CN(CC#CC(OCC)OCC)C |
Spectrum/Structure Validation Score (Raman) |
0.944261 |