| SpectraBase Spectrum ID |
9IRSFIaPaoi |
| Name |
2-Methyl-4-oxa-tricyclo[6.2.1.0(1,5)]undec-6-en-3-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
178.099379689 u |
| Formula |
C11H14O2 |
| InChI |
InChI=1S/C11H14O2/c1-7-10(12)13-9-3-2-8-4-5-11(7,9)6-8/h2-3,7-9H,4-6H2,1H3 |
| InChIKey |
KDJHAROICRFWAO-UHFFFAOYSA-N |
| Molecular Weight |
178.231 g/mol |
| SMILES |
C123C(OC(C3C)=O)C=CC(C1)CC2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.861114 |
![2-Methyl-4-oxa-tricyclo[6.2.1.0(1,5)]undec-6-en-3-one](/api/spectrum/9IRSFIaPaoi/structure.png?h=300&w=458 "2-Methyl-4-oxa-tricyclo[6.2.1.0(1,5)]undec-6-en-3-one")
