SpectraBase Spectrum ID |
2KCzHvVBKHR |
Name |
4,11-Dimethyl-8-(propan-2-yl)-5,12-dioxatricyclo[9.1.0.04,6]dodecan-7-ol, ac |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
296.198759378 u |
Formula |
C17H28O4 |
InChI |
InChI=1S/C17H28O4/c1-10(2)12-6-8-16(4)13(20-16)7-9-17(5)15(21-17)14(12)19-11(3)18/h10,12-15H,6-9H2,1-5H3 |
InChIKey |
BRHGPQLYUMYCRL-UHFFFAOYSA-N |
Molecular Weight |
296.407 g/mol |
SMILES |
C12CCC3(OC3C(C(CCC1(O2)C)C(C)C)OC(=O)C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.93609 |