| SpectraBase Spectrum ID |
GaQIEJMzGWi |
| Name |
4H-Inden-4-one, 1,2,5,6,7,7A-hexahydro-2-(methoxymethyl)-7,7-dimethyl-, cis-(.+-.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
208.146329882 u |
| Formula |
C13H20O2 |
| InChI |
InChI=1S/C13H20O2/c1-13(2)5-4-12(14)10-6-9(8-15-3)7-11(10)13/h6,9,11H,4-5,7-8H2,1-3H3/t9-,11+/m1/s1 |
| InChIKey |
OOPYNVJAOXCVTC-KOLCDFICSA-N |
| Molecular Weight |
208.301 g/mol |
| SMILES |
C=12[C@@](C(C)(C)CCC2=O)(C[C@@](C1)(COC)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.901779 |
