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.beta.-Alanine, N-(3-methylbenzoyl)-, tetradecyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

.beta.-Alanine, N-(3-methylbenzoyl)-, tetradecyl ester
SpectraBase Compound ID AF2jAo950KD
InChI InChI=1S/C25H41NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-20-29-24(27)18-19-26-25(28)23-17-15-16-22(2)21-23/h15-17,21H,3-14,18-20H2,1-2H3,(H,26,28)
InChIKey SSYWIVACJVMATO-UHFFFAOYSA-N
Mol Weight 403.6 g/mol
Molecular Formula C25H41NO3
Exact Mass 403.308644 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2KW5MeiCayG
Name .beta.-Alanine, N-(3-methylbenzoyl)-, tetradecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 403.308644181 u
Formula C25H41NO3
InChI InChI=1S/C25H41NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-20-29-24(27)18-19-26-25(28)23-17-15-16-22(2)21-23/h15-17,21H,3-14,18-20H2,1-2H3,(H,26,28)
InChIKey SSYWIVACJVMATO-UHFFFAOYSA-N
Molecular Weight 403.607 g/mol
SMILES C1=CC=C(C=C1C(NCCC(OCCCCCCCCCCCCCC)=O)=O)C