| SpectraBase Spectrum ID |
9FMxc4hMVEZ |
| Name |
3B,7,7-Trimethyl-3-tolyl-3,3A,3B,4,5,6,7,8A-octahydro-1H-indeno[1,2-C]furan-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
310.193280075 u |
| Formula |
C21H26O2 |
| InChI |
InChI=1S/C21H26O2/c1-13-6-8-14(9-7-13)18-17-15(19(22)23-18)12-16-20(2,3)10-5-11-21(16,17)4/h6-9,12,15,17-18H,5,10-11H2,1-4H3/t15-,17+,18-,21+/m1/s1 |
| InChIKey |
WBPDRDVNSJZEKX-HVSHLEFESA-N |
| SMILES |
[C@]12(C(=C[C@@]3([C@]2([C@](OC3=O)(C2=CC=C(C=C2)C)[H])[H])[H])C(C)(C)CCC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.84786 |
![3b,7,7-Trimethyl-3-tolyl-3,3a,3b,4,5,6,7,8a-octahydro-1H-indeno[1,2-c]furan-1-one](/api/spectrum/9FMxc4hMVEZ/structure.png?h=300&w=458 "3b,7,7-Trimethyl-3-tolyl-3,3a,3b,4,5,6,7,8a-octahydro-1H-indeno[1,2-c]furan-1-one")
