SpectraBase Spectrum ID |
7AfsDQAFxra |
Name |
2-Methyl-3-(1'-methylethenyl)-4,4-dicarbethoxycyclopentanol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
284.162373868 u |
Formula |
C15H24O5 |
InChI |
InChI=1S/C15H24O5/c1-6-19-13(17)15(14(18)20-7-2)8-11(16)10(5)12(15)9(3)4/h10-12,16H,3,6-8H2,1-2,4-5H3 |
InChIKey |
HBEBIGNSVSFVJK-UHFFFAOYSA-N |
SMILES |
C1(C(C(C)C(C1)O)C(=C)C)(C(=O)OCC)C(=O)OCC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.955114 |