| SpectraBase Spectrum ID |
5HLnRC34y7x |
| Name |
Afzelin, hexamethyl ether |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
516.199547220 u |
| Formula |
C27H32O10 |
| InChI |
InChI=1S/C27H32O10/c1-14-22(32-5)25(33-6)26(34-7)27(35-14)37-24-21(28)20-18(31-4)12-17(30-3)13-19(20)36-23(24)15-8-10-16(29-2)11-9-15/h8-14,22,25-27H,1-7H3/t14-,22-,25+,26+,27-/m0/s1 |
| InChIKey |
PIARNXGRNYVRGX-WLSUYNDGSA-N |
| Molecular Weight |
516.543 g/mol |
| SMILES |
COC1=CC=C(C2=C(O[C@@]3(O[C@@](C)([C@](OC)([C@@](OC)([C@]3(OC)[H])[H])[H])[H])[H])C(C3=C(O2)C=C(OC)C=C3OC)=O)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.832466 |
