| SpectraBase Spectrum ID |
4qfzKQSa68r |
| Name |
(2S,4S)-2,4-bis(Benzyloxymethyl)azetidine-1-carbaldehyde |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
325.167793602 u |
| Formula |
C20H23NO3 |
| InChI |
InChI=1S/C20H23NO3/c22-16-21-19(14-23-12-17-7-3-1-4-8-17)11-20(21)15-24-13-18-9-5-2-6-10-18/h1-10,16,19-20H,11-15H2/t19-,20-/m0/s1 |
| InChIKey |
RGVPTFRYWHQNEI-PMACEKPBSA-N |
| Molecular Weight |
325.408 g/mol |
| SMILES |
[C@]1(N([C@@](C1)(COCC=1C=CC=CC1)[H])C=O)(COCC=1C=CC=CC1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.890666 |
