| SpectraBase Spectrum ID |
251YcOathZP |
| Name |
1(3H)-Isobenzofuranone, hexahydro-7,7-dimethyl-, cis-(.+-.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
168.115029753 u |
| Formula |
C10H16O2 |
| InChI |
InChI=1S/C10H16O2/c1-10(2)5-3-4-7-6-12-9(11)8(7)10/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1 |
| InChIKey |
IHLMBUUAYFGLGS-HTQZYQBOSA-N |
| Molecular Weight |
168.236 g/mol |
| SMILES |
C1(OC[C@@]2([C@]1(C(CCC2)(C)C)[H])[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.985934 |
