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Ferruloyl-homovanillylamineamine - diacetate

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

Ferruloyl-homovanillylamineamine - diacetate
SpectraBase Compound ID CyskW1KeVMd
InChI InChI=1S/C23H25NO7/c1-15(25)30-19-8-5-17(13-21(19)28-3)7-10-23(27)24-12-11-18-6-9-20(31-16(2)26)22(14-18)29-4/h5-10,13-14H,11-12H2,1-4H3,(H,24,27)/b10-7+
InChIKey BOJPGVIWNKZZBD-JXMROGBWSA-N
Mol Weight 427.45 g/mol
Molecular Formula C23H25NO7
Exact Mass 427.163102 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID B4TCixkSlx0
Name Ferruloyl-homovanillylamineamine - diacetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 427.163102142 u
Formula C23H25NO7
InChI InChI=1S/C23H25NO7/c1-15(25)30-19-8-5-17(13-21(19)28-3)7-10-23(27)24-12-11-18-6-9-20(31-16(2)26)22(14-18)29-4/h5-10,13-14H,11-12H2,1-4H3,(H,24,27)/b10-7+
InChIKey BOJPGVIWNKZZBD-JXMROGBWSA-N
Molecular Weight 427.453 g/mol
SMILES C=1(OC(=O)C)C(=CC(\C=C\C(=O)NCCC=2C=C(OC)C(=CC2)OC(=O)C)=CC1)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.923979