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Proctorione C

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

Proctorione C
SpectraBase Compound ID HtNnhZbmXdR
InChI InChI=1S/C24H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(25)23-21(26)18-19-22(27)24(23)28/h7-8,22,26-27H,2-6,9-19H2,1H3/b8-7-
InChIKey SVNNKIHPYLAFTH-FPLPWBNLSA-N
Mol Weight 392.6 g/mol
Molecular Formula C24H40O4
Exact Mass 392.29266 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Dq2K4uD3KZN
Name Proctorione C
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 392.292659764 u
Formula C24H40O4
InChI InChI=1S/C24H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(25)23-21(26)18-19-22(27)24(23)28/h7-8,22,26-27H,2-6,9-19H2,1H3/b8-7-
InChIKey SVNNKIHPYLAFTH-FPLPWBNLSA-N
Molecular Weight 392.580 g/mol
SMILES C=1(C(C(O)CCC1O)=O)C(=O)CCCCCCCCC\C=C/CCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.830252