| SpectraBase Spectrum ID |
LpyyHnvdzGI |
| Name |
1,5-Hexadiyne-3,4-diol, 1,6-bis[3,3-dimethyl-2-(1-methylethyl)oxiranyl]-3,4-dimethyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
362.245709571 u |
| Formula |
C22H34O4 |
| InChI |
InChI=1S/C22H34O4/c1-15(2)21(17(5,6)25-21)13-11-19(9,23)20(10,24)12-14-22(16(3)4)18(7,8)26-22/h15-16,23-24H,1-10H3 |
| InChIKey |
ZWBONBIXWJZIIC-UHFFFAOYSA-N |
| Molecular Weight |
362.510 g/mol |
| SMILES |
C1(OC1(C)C)(C#CC(C(C#CC1(OC1(C)C)C(C)C)(O)C)(O)C)C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.976275 |
![1,5-Hexadiyne-3,4-diol, 1,6-bis[3,3-dimethyl-2-(1-methylethyl)oxiranyl]-3,4-dimethyl-](/api/spectrum/LpyyHnvdzGI/structure.png?h=300&w=458 "1,5-Hexadiyne-3,4-diol, 1,6-bis[3,3-dimethyl-2-(1-methylethyl)oxiranyl]-3,4-dimethyl-")
