For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Candidalactone-methylester

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

Candidalactone-methylester
SpectraBase Compound ID 9FvBhp4pc1o
InChI InChI=1S/C21H30O4/c1-7-20(4)11-14(17(22)24-6)21(5)13-9-8-10-19(2,3)16(13)18(23)25-15(21)12-20/h7,14-15H,1,8-12H2,2-6H3/t14-,15-,20+,21-/m0/s1
InChIKey DARRIGAMNMSITP-YJPXFSGGSA-N
Mol Weight 346.47 g/mol
Molecular Formula C21H30O4
Exact Mass 346.214409 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

Subscribe to view the full spectrum.

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID BYtpA3nCxL7
Name Candidalactone-methylester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 346.214409442 u
Formula C21H30O4
InChI InChI=1S/C21H30O4/c1-7-20(4)11-14(17(22)24-6)21(5)13-9-8-10-19(2,3)16(13)18(23)25-15(21)12-20/h7,14-15H,1,8-12H2,2-6H3/t14-,15-,20+,21-/m0/s1
InChIKey DARRIGAMNMSITP-YJPXFSGGSA-N
Molecular Weight 346.467 g/mol
SMILES C1(=O)C=2C(CCCC2[C@@]2([C@@](O1)(C[C@@](C[C@]2(C(=O)OC)[H])(C=C)C)[H])C)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.969829