| SpectraBase Spectrum ID |
5K5PpkE89sh |
| Name |
4-[5-(Hydroxymethyl)-8-methyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]phenol, 2ac derivative |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
344.162373868 u |
| Formula |
C20H24O5 |
| InChI |
InChI=1S/C20H24O5/c1-13-8-9-20(11-23-14(2)21)10-18(13)19(24-12-20)16-4-6-17(7-5-16)25-15(3)22/h4-8,18-19H,9-12H2,1-3H3 |
| InChIKey |
MMBDAOJDOBHUNE-UHFFFAOYSA-N |
| Molecular Weight |
344.407 g/mol |
| SMILES |
C1(=CC=C(C=C1)C1C2C(C)=CCC(C2)(CO1)COC(C)=O)OC(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.912005 |
![4-[5-(Hydroxymethyl)-8-methyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]phenol, 2ac derivative](/api/spectrum/5K5PpkE89sh/structure.png?h=300&w=458 "4-[5-(Hydroxymethyl)-8-methyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]phenol, 2ac derivative")
