SpectraBase Spectrum ID |
9SWCwSf3wQW |
Name |
4,4,6-Trimethyl-2-(4-morpholino)-7-oxabicyclo[4.1.0]hept-2-ene |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
223.157228918 u |
Formula |
C13H21NO2 |
InChI |
InChI=1S/C13H21NO2/c1-12(2)8-10(11-13(3,9-12)16-11)14-4-6-15-7-5-14/h8,11H,4-7,9H2,1-3H3 |
InChIKey |
YAPFVXXELFWHBT-UHFFFAOYSA-N |
Molecular Weight |
223.316 g/mol |
SMILES |
C1COCCN1C=1C2C(CC(C1)(C)C)(C)O2 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961498 |