| SpectraBase Spectrum ID |
IW1aqmQt9Mg |
| Name |
Hexanoic acid, 3,5,5-trimethyl-, 1,2,3-propanetriyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
512.407689517 u |
| Formula |
C30H56O6 |
| InChI |
InChI=1S/C30H56O6/c1-21(16-28(4,5)6)13-25(31)34-19-24(36-27(33)15-23(3)18-30(10,11)12)20-35-26(32)14-22(2)17-29(7,8)9/h21-24H,13-20H2,1-12H3 |
| InChIKey |
QNESDXMHQYMNGD-UHFFFAOYSA-N |
| Molecular Weight |
512.772 g/mol |
| SMILES |
C(COC(CC(CC(C)(C)C)C)=O)(COC(CC(CC(C)(C)C)C)=O)OC(CC(CC(C)(C)C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.990301 |
