| SpectraBase Spectrum ID |
4CW3mUFidcD |
| Name |
(3ar,9ar,9br)-3A,6,6,9A-Tetramethyl-2,4,7,8,9,9B-hexahydro-1H-benzo[E]benzofuran |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
234.198365456 u |
| Formula |
C16H26O |
| InChI |
InChI=1S/C16H26O/c1-14(2)8-5-9-15(3)12(14)6-10-16(4)13(15)7-11-17-16/h6,13H,5,7-11H2,1-4H3/t13-,15+,16-/m1/s1 |
| InChIKey |
PFHDVCNPQQFRAO-VNQPRFMTSA-N |
| Molecular Weight |
234.383 g/mol |
| SMILES |
[C@]12(OCC[C@@]2([C@@]2(C(=CC1)C(CCC2)(C)C)C)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.944665 |
![(3aR,9aR,9bR)-3a,6,6,9a-tetramethyl-2,4,7,8,9,9b-hexahydro-1H-benzo[e]benzofuran](/api/spectrum/4CW3mUFidcD/structure.png?h=300&w=458 "(3aR,9aR,9bR)-3a,6,6,9a-tetramethyl-2,4,7,8,9,9b-hexahydro-1H-benzo[e]benzofuran")
