| SpectraBase Spectrum ID |
6r2BHbZnA0P |
| Name |
3H-3A,6-Methanoazulen-3-one, 1,2,4,5,6,7-hexahydro-7,7,8-trimethyl-, (.+-.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
204.151415263 u |
| Formula |
C14H20O |
| InChI |
InChI=1S/C14H20O/c1-9-11-4-5-12(15)14(11)7-6-10(8-14)13(9,2)3/h10H,4-8H2,1-3H3 |
| InChIKey |
NUFITPMPWVXRHU-UHFFFAOYSA-N |
| Molecular Weight |
204.313 g/mol |
| SMILES |
C123C(=C(C)C(C(C3)CC1)(C)C)CCC2=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.898276 |
