| SpectraBase Spectrum ID |
huK6SVExkh |
| Name |
6-o-(3-Methylvaleryl)britannilactone, o-acetyl |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
406.235538809 u |
| Formula |
C23H34O6 |
| InChI |
InChI=1S/C23H34O6/c1-7-13(2)11-19(25)29-22-20(14(3)9-8-10-27-17(6)24)15(4)12-18-21(22)16(5)23(26)28-18/h13-14,18,21-22H,5,7-12H2,1-4,6H3/t13?,14-,18+,21+,22+/m0/s1 |
| InChIKey |
VARCUXZWTHLZBR-IQQLTGAZSA-N |
| Molecular Weight |
406.519 g/mol |
| SMILES |
[C@@]12([H])OC(C([C@@]2([H])[C@@](C(=C(C)C1)[C@](CCCOC(C)=O)(C)[H])(OC(=O)CC(C)CC)[H])=C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.886024 |
