| SpectraBase Spectrum ID |
GAoPXl2Ew7R |
| Name |
Benzenehexaethanol, hexaacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
594.267626780 u |
| Formula |
C30H42O12 |
| InChI |
InChI=1S/C30H42O12/c1-19(31)37-13-7-25-26(8-14-38-20(2)32)28(10-16-40-22(4)34)30(12-18-42-24(6)36)29(11-17-41-23(5)35)27(25)9-15-39-21(3)33/h7-18H2,1-6H3 |
| InChIKey |
VYGXZFQREYBROP-UHFFFAOYSA-N |
| Molecular Weight |
594.654 g/mol |
| SMILES |
C(=O)(OCCC1=C(CCOC(=O)C)C(CCOC(=O)C)=C(C(=C1CCOC(C)=O)CCOC(C)=O)CCOC(C)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.937038 |
