| SpectraBase Spectrum ID |
C6JFpgT2CHh |
| Name |
(1R,3ar,7ar)-1-[(E)-but-2-en-2-yl]-3,3,6-Trimethyl-3A,4,5,7A-tetrahydro-1H-2-benzofuran |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
220.182715392 u |
| Formula |
C15H24O |
| InChI |
InChI=1S/C15H24O/c1-6-11(3)14-12-9-10(2)7-8-13(12)15(4,5)16-14/h6,9,12-14H,7-8H2,1-5H3/b11-6+/t12-,13-,14+/m1/s1 |
| InChIKey |
VPOHDSFXXYSOAH-HBFFOZPESA-N |
| Molecular Weight |
220.356 g/mol |
| SMILES |
[C@@]1(OC([C@@]2(CCC(=C[C@@]12[H])C)[H])(C)C)(\C(=C\C)C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.933432 |
![(1R,3aR,7aR)-1-[(E)-but-2-en-2-yl]-3,3,6-trimethyl-3a,4,5,7a-tetrahydro-1H-2-benzofuran](/api/spectrum/C6JFpgT2CHh/structure.png?h=300&w=458 "(1R,3aR,7aR)-1-[(E)-but-2-en-2-yl]-3,3,6-trimethyl-3a,4,5,7a-tetrahydro-1H-2-benzofuran")
