| SpectraBase Spectrum ID |
9rvDFLuQqx0 |
| Name |
5-(Heptadec-8'-enyl)-2,2-dimethyl-1,3-benzodioxole |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
386.318480590 u |
| Formula |
C26H42O2 |
| InChI |
InChI=1S/C26H42O2/c1-5-7-9-11-12-14-16-18-22(17-15-13-10-8-6-2)23-19-20-24-25(21-23)28-26(3,4)27-24/h18-21H,5-17H2,1-4H3/b22-18+ |
| InChIKey |
XTPFXYBWIOGDMN-RELWKKBWSA-N |
| Molecular Weight |
386.620 g/mol |
| SMILES |
C1(OC2=CC(\C(=C\CCCCCCCC)CCCCCCC)=CC=C2O1)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.893655 |
