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Perhexiline-M (di-HO-) -H2O 2AC

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

Perhexiline-M (di-HO-) -H2O 2AC
SpectraBase Compound ID 9eXWd7FXtmZ
InChI InChI=1S/C23H37NO3/c1-17(25)24-15-7-6-10-21(24)16-23(19-8-4-3-5-9-19)20-11-13-22(14-12-20)27-18(2)26/h3-4,19-23H,5-16H2,1-2H3
InChIKey QLXUIYPXQNHFJG-UHFFFAOYSA-N
Mol Weight 375.6 g/mol
Molecular Formula C23H37NO3
Exact Mass 375.277344 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JdAG0vTZZu4
Name Perhexiline-m (di-ho-) -H2O 2ac P1337
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 375.277344052 u
Formula C23H37NO3
InChI InChI=1S/C23H37NO3/c1-17(25)24-15-7-6-10-21(24)16-23(19-8-4-3-5-9-19)20-11-13-22(14-12-20)27-18(2)26/h3-4,19-23H,5-16H2,1-2H3
InChIKey QLXUIYPXQNHFJG-UHFFFAOYSA-N
Molecular Weight 375.553 g/mol
SMILES C1CC(OC(C)=O)CCC1C(CC1CCCCN1C(C)=O)C1CCC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.807019