| SpectraBase Spectrum ID |
5VfQr9wogPH |
| Name |
1,3-di(3'-Methyl-2'-hydroxybutyl)benzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
250.193280075 u |
| Formula |
C16H26O2 |
| InChI |
InChI=1S/C16H26O2/c1-11(2)15(17)9-13-6-5-7-14(8-13)10-16(18)12(3)4/h5-8,11-12,15-18H,9-10H2,1-4H3 |
| InChIKey |
BMPAQNVSFAFXNI-UHFFFAOYSA-N |
| Molecular Weight |
250.382 g/mol |
| SMILES |
C(C(C(C)C)O)C1=CC(CC(C(C)C)O)=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.90677 |
