| SpectraBase Spectrum ID |
IqRoPJL4n5j |
| Name |
Glutaric acid, 1-(tert-butoxy)prop-2-yl 2-methylhex-3-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
330.240624190 u |
| Formula |
C18H34O5 |
| InChI |
InChI=1S/C18H34O5/c1-8-15(13(2)3)23-17(20)11-9-10-16(19)22-14(4)12-21-18(5,6)7/h13-15H,8-12H2,1-7H3 |
| InChIKey |
UKMCUZARQKHXPY-UHFFFAOYSA-N |
| Molecular Weight |
330.465 g/mol |
| SMILES |
C(CCCC(OC(C)COC(C)(C)C)=O)(OC(CC)C(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.879253 |
