| SpectraBase Spectrum ID |
5W9u6mWfouw |
| Name |
6-Tert-butyl-hexahydro-1-oxa-6-azacyclopenta[1,4]cyclobuta[1,2]benzene-5-one |
| 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(2,3)14-6-5-13-9(4-7-16-13)8-10(13)11(14)15/h9-10H,4-8H2,1-3H3 |
| InChIKey |
LDNZGRMHGQCXLG-UHFFFAOYSA-N |
| Molecular Weight |
223.316 g/mol |
| SMILES |
C12C(N(C(C)(C)C)CCC22OCCC2C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.837266 |
![6-Tert-butyl-hexahydro-1-oxa-6-azacyclopenta[1,4]cyclobuta[1,2]benzene-5-one](/api/spectrum/5W9u6mWfouw/structure.png?h=300&w=458 "6-Tert-butyl-hexahydro-1-oxa-6-azacyclopenta[1,4]cyclobuta[1,2]benzene-5-one")
