SpectraBase Spectrum ID |
J4M98NFzIsd |
Name |
Methyl 2-[5-(2-methoxypropyl)oxolan-2-yl]propanoate |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
230.151809184 u |
Formula |
C12H22O4 |
InChI |
InChI=1S/C12H22O4/c1-8(14-3)7-10-5-6-11(16-10)9(2)12(13)15-4/h8-11H,5-7H2,1-4H3 |
InChIKey |
MRENTEDMIUQEOK-UHFFFAOYSA-N |
Molecular Weight |
230.304 g/mol |
SMILES |
C(C1OC(CC(OC)C)CC1)(C(=O)OC)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.900459 |