| SpectraBase Spectrum ID |
JbM1BXnEcGY |
| Name |
(+)-3,4,8-triacetoxytetralone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
320.089602848 u |
| Formula |
C16H16O7 |
| InChI |
InChI=1S/C16H16O7/c1-8(17)21-13-6-4-5-11-15(13)12(20)7-14(22-9(2)18)16(11)23-10(3)19/h4-6,14,16H,7H2,1-3H3 |
| InChIKey |
RDEAVOKKPFJKGW-UHFFFAOYSA-N |
| Molecular Weight |
320.297 g/mol |
| SMILES |
C12=C(C(OC(=O)C)C(CC2=O)OC(=O)C)C=CC=C1OC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.966832 |
