SpectraBase Spectrum ID |
H9afLBqwfj5 |
Name |
1,7,10,15-Tetraoxadispiro[5.2.5.2]hexadecane, trans-(.+-.)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
228.136159120 u |
Formula |
C12H20O4 |
InChI |
InChI=1S/C12H20O4/c1-3-7-13-11(5-1)9-16-12(10-15-11)6-2-4-8-14-12/h1-10H2/t11-,12+ |
InChIKey |
OBPOXNMGOXNOEI-TXEJJXNPSA-N |
Molecular Weight |
228.288 g/mol |
SMILES |
[C@@]12(OC[C@@]3(OC2)OCCCC3)OCCCC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.955181 |