| SpectraBase Spectrum ID |
ESZNqGMAtXQ |
| Name |
3'-Tert-butyl-2'-hydroxy-5'-isopropyl-6'-methylheptanophenone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
318.255880333 u |
| Formula |
C21H34O2 |
| InChI |
InChI=1S/C21H34O2/c1-8-9-10-11-12-18(22)19-15(4)16(14(2)3)13-17(20(19)23)21(5,6)7/h13-14,23H,8-12H2,1-7H3 |
| InChIKey |
HKEWPYNNPVAAMC-UHFFFAOYSA-N |
| Molecular Weight |
318.501 g/mol |
| SMILES |
OC1=C(C(=C(C=C1C(C)(C)C)C(C)C)C)C(CCCCCC)=O |
| Spectrum/Structure Validation Score (Raman) |
0.985914 |
