| SpectraBase Spectrum ID |
1KEdnzGxYNV |
| Name |
2-Chloro-1-(4-methyl-4-phenyl-11-oxa-3-aza-tricyclo[6.2.1.01,6]undec-9-en-3-yl)-ethanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
317.118256586 u |
| Formula |
C18H20ClNO2 |
| InChI |
InChI=1S/C18H20ClNO2/c1-17(13-5-3-2-4-6-13)10-14-9-15-7-8-18(14,22-15)12-20(17)16(21)11-19/h2-8,14-15H,9-12H2,1H3 |
| InChIKey |
NLNUJNMIRZGOHF-UHFFFAOYSA-N |
| Molecular Weight |
317.816 g/mol |
| SMILES |
C1=CC2CC3C1(CN(C(=O)CCl)C(C3)(C)C1=CC=CC=C1)O2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.931983 |
![2-Chloro-1-(4-methyl-4-phenyl-11-oxa-3-aza-tricyclo[6.2.1.01,6]undec-9-en-3-yl)-ethanone](/api/spectrum/1KEdnzGxYNV/structure.png?h=300&w=458 "2-Chloro-1-(4-methyl-4-phenyl-11-oxa-3-aza-tricyclo[6.2.1.01,6]undec-9-en-3-yl)-ethanone")
