| SpectraBase Spectrum ID |
HVWUdbv3cy9 |
| Name |
2,3-Dihydro-2-methyl-2-(3,7,11,15-tetramethyl-2-hexadecenyl)-1,4-naphthalenedione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
452.365430784 u |
| Formula |
C31H48O2 |
| InChI |
InChI=1S/C31H48O2/c1-23(2)12-9-13-24(3)14-10-15-25(4)16-11-17-26(5)20-21-31(6)22-29(32)27-18-7-8-19-28(27)30(31)33/h7-8,18-20,23-25H,9-17,21-22H2,1-6H3/b26-20- |
| InChIKey |
LNLLXGCSJAUWOU-QOMWVZHYSA-N |
| Molecular Weight |
452.723 g/mol |
| SMILES |
C1(C(CC(C2=C1C=CC=C2)=O)(C\C=C/(CCCC(CCCC(CCCC(C)C)C)C)C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.931183 |
