SpectraBase Spectrum ID |
L88VkuJhbgc |
Name |
Succinic acid, hept-2-yl 2-methoxyethyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
274.178023932 u |
Formula |
C14H26O5 |
InChI |
InChI=1S/C14H26O5/c1-4-5-6-7-12(2)19-14(16)9-8-13(15)18-11-10-17-3/h12H,4-11H2,1-3H3 |
InChIKey |
BZKLINVIHMVDMC-UHFFFAOYSA-N |
Molecular Weight |
274.357 g/mol |
SMILES |
C(CC(OC(C)CCCCC)=O)C(OCCOC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.956528 |