| SpectraBase Spectrum ID |
6YE60aMqDI1 |
| Name |
(Phenylmethyl) 8-oxa-5-azabicyclo[5.1.0]octane-5-carboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
247.120843408 u |
| Formula |
C14H17NO3 |
| InChI |
InChI=1S/C14H17NO3/c16-14(17-10-11-5-2-1-3-6-11)15-8-4-7-12-13(9-15)18-12/h1-3,5-6,12-13H,4,7-10H2 |
| InChIKey |
WNWUYYZBSLFMHF-UHFFFAOYSA-N |
| Molecular Weight |
247.294 g/mol |
| SMILES |
C1N(CCCC2C1O2)C(=O)OCC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.800717 |