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dl-Valyl-dl-valine, N,N'-dimethyl-N'-(3-chloropropoxycarbonyl)-, octyl ester

View entire compound with spectra: 1 NMR

dl-Valyl-dl-valine, N,N'-dimethyl-N'-(3-chloropropoxycarbonyl)-, octyl ester
SpectraBase Compound ID IF29HnFzASF
InChI InChI=1S/C24H45ClN2O5/c1-8-9-10-11-12-13-16-31-23(29)21(19(4)5)26(6)22(28)20(18(2)3)27(7)24(30)32-17-14-15-25/h18-21H,8-17H2,1-7H3
InChIKey KYVQFZZZSWLSHF-UHFFFAOYSA-N
Mol Weight 477.1 g/mol
Molecular Formula C24H45ClN2O5
Exact Mass 476.3017 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CwzKAV0BVhY
Name dl-Valyl-dl-valine, N,N'-dimethyl-N'-(3-chloropropoxycarbonyl)-, octyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 476.301700252 u
Formula C24H45ClN2O5
InChI InChI=1S/C24H45ClN2O5/c1-8-9-10-11-12-13-16-31-23(29)21(19(4)5)26(6)22(28)20(18(2)3)27(7)24(30)32-17-14-15-25/h18-21H,8-17H2,1-7H3
InChIKey KYVQFZZZSWLSHF-UHFFFAOYSA-N
Molecular Weight 477.086 g/mol
SMILES C(N(C(C(C)C)C(OCCCCCCCC)=O)C)(C(N(C(OCCCCl)=O)C)C(C)C)=O