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(2S)-2-[benzyl(4-methylpent-3-enyl)amino]-4-methyl-pentanal

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

(2S)-2-[benzyl(4-methylpent-3-enyl)amino]-4-methyl-pentanal
SpectraBase Compound ID BBZ3CnphMmS
InChI InChI=1S/C19H29NO/c1-16(2)9-8-12-20(19(15-21)13-17(3)4)14-18-10-6-5-7-11-18/h5-7,9-11,15,17,19H,8,12-14H2,1-4H3/t19-/m0/s1
InChIKey IYJGZYOXOXWECR-IBGZPJMESA-N
Mol Weight 287.45 g/mol
Molecular Formula C19H29NO
Exact Mass 287.224915 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LWKBj4jwKjP
Name (2S)-2-[Benzyl(4-methylpent-3-enyl)amino]-4-methyl-pentanal
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 287.224914557 u
Formula C19H29NO
InChI InChI=1S/C19H29NO/c1-16(2)9-8-12-20(19(15-21)13-17(3)4)14-18-10-6-5-7-11-18/h5-7,9-11,15,17,19H,8,12-14H2,1-4H3/t19-/m0/s1
InChIKey IYJGZYOXOXWECR-IBGZPJMESA-N
SMILES [C@@](N(CC=1C=CC=CC1)CCC=C(C)C)(CC(C)C)(C=O)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.953626