| SpectraBase Spectrum ID |
1jjQLMiiocJ |
| Name |
Benzenepentol, pentaacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
368.074346705 u |
| Formula |
C16H16O10 |
| InChI |
InChI=1S/C16H16O10/c1-7(17)22-12-6-13(23-8(2)18)15(25-10(4)20)16(26-11(5)21)14(12)24-9(3)19/h6H,1-5H3 |
| InChIKey |
CPPBMNTYRDYHQB-UHFFFAOYSA-N |
| Molecular Weight |
368.294 g/mol |
| SMILES |
C(=O)(OC=1C(=C(C(=C(C1)OC(C)=O)OC(=O)C)OC(=O)C)OC(=O)C)C |
| Spectrum/Structure Validation Score (Raman) |
0.969499 |
