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Sarcosine, N-(4-nitrobenzoyl)-, undecyl ester

View entire compound with spectra: 1 NMR

Sarcosine, N-(4-nitrobenzoyl)-, undecyl ester
SpectraBase Compound ID 4slAmN6UQNK
InChI InChI=1S/C21H32N2O5/c1-3-4-5-6-7-8-9-10-11-16-28-20(24)17-22(2)21(25)18-12-14-19(15-13-18)23(26)27/h12-15H,3-11,16-17H2,1-2H3
InChIKey VXMKSVJQGXTRFY-UHFFFAOYSA-N
Mol Weight 392.5 g/mol
Molecular Formula C21H32N2O5
Exact Mass 392.231122 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5Sr0gTw4XSY
Name Sarcosine, N-(4-nitrobenzoyl)-, undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 392.231122133 u
Formula C21H32N2O5
InChI InChI=1S/C21H32N2O5/c1-3-4-5-6-7-8-9-10-11-16-28-20(24)17-22(2)21(25)18-12-14-19(15-13-18)23(26)27/h12-15H,3-11,16-17H2,1-2H3
InChIKey VXMKSVJQGXTRFY-UHFFFAOYSA-N
Molecular Weight 392.496 g/mol
SMILES C1=CC(=CC=C1C(N(CC(OCCCCCCCCCCC)=O)C)=O)N(=O)=O