| SpectraBase Spectrum ID |
HpeV2K90ihq |
| Name |
15,17-Diacetyl botryslactone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
388.188588616 u |
| Formula |
C22H28O6 |
| InChI |
InChI=1S/C22H28O6/c1-12-7-8-15-19(22(6,10-21(15,4)5)11-26-13(2)23)18(12)16-9-17(20(25)28-16)27-14(3)24/h7-8,16-17H,9-11H2,1-6H3/t16-,17+,22+/m0/s1 |
| InChIKey |
JPJGVLGISPKEPU-GSHUGGBRSA-N |
| Molecular Weight |
388.460 g/mol |
| SMILES |
C=12[C@](CC(C2=CC=C(C1[C@]1(OC(=O)[C@@](C1)(OC(=O)C)[H])[H])C)(C)C)(COC(=O)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.866659 |
