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.beta.-Alanyl-.beta.-alanine, N-(2-methylbenzoyl)-, butyl ester

View entire compound with spectra: 1 NMR

.beta.-Alanyl-.beta.-alanine, N-(2-methylbenzoyl)-, butyl ester
SpectraBase Compound ID JrHLRL2PeYp
InChI InChI=1S/C18H26N2O4/c1-3-4-13-24-17(22)10-12-19-16(21)9-11-20-18(23)15-8-6-5-7-14(15)2/h5-8H,3-4,9-13H2,1-2H3,(H,19,21)(H,20,23)
InChIKey GNGCCMJTOOFVPQ-UHFFFAOYSA-N
Mol Weight 334.42 g/mol
Molecular Formula C18H26N2O4
Exact Mass 334.189257 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8bsRAsyY2W1
Name .beta.-Alanyl-.beta.-alanine, N-(2-methylbenzoyl)-, butyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 334.189257321 u
Formula C18H26N2O4
InChI InChI=1S/C18H26N2O4/c1-3-4-13-24-17(22)10-12-19-16(21)9-11-20-18(23)15-8-6-5-7-14(15)2/h5-8H,3-4,9-13H2,1-2H3,(H,19,21)(H,20,23)
InChIKey GNGCCMJTOOFVPQ-UHFFFAOYSA-N
Molecular Weight 334.416 g/mol
SMILES CCCCOC(CCNC(CCNC(=O)C=1C(C)=CC=CC1)=O)=O