| SpectraBase Spectrum ID |
HowmuSsTGHc |
| Name |
Malonic acid, cyclopentyl-, di-(-)-menthyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
452.386560150 u |
| Formula |
C28H52O4 |
| InChI |
InChI=1S/C22H36O4.2C3H8/c1-15-7-5-11-18(13-15)25-21(23)20(17-9-3-4-10-17)22(24)26-19-12-6-8-16(2)14-19;2*1-3-2/h15-20H,3-14H2,1-2H3;2*3H2,1-2H3 |
| InChIKey |
ORQZWAMWPNKJGK-UHFFFAOYSA-N |
| Molecular Weight |
452.720 g/mol |
| Nominal Mass |
452 u |
| SMILES |
C(C)C.CC1CCCC(C1)OC(=O)C(C(=O)OC1CCCC(C)C1)C1CCCC1.C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.857514 |
