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

View entire compound with spectra: 1 NMR

Sarcosine, N-(4-nitrobenzoyl)-, dodecyl ester
SpectraBase Compound ID CcLSqv7gHIC
InChI InChI=1S/C22H34N2O5/c1-3-4-5-6-7-8-9-10-11-12-17-29-21(25)18-23(2)22(26)19-13-15-20(16-14-19)24(27)28/h13-16H,3-12,17-18H2,1-2H3
InChIKey BLMNBZPEUDUOAT-UHFFFAOYSA-N
Mol Weight 406.5 g/mol
Molecular Formula C22H34N2O5
Exact Mass 406.246772 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8YpoF3vdVlu
Name Sarcosine, N-(4-nitrobenzoyl)-, dodecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 406.246772198 u
Formula C22H34N2O5
InChI InChI=1S/C22H34N2O5/c1-3-4-5-6-7-8-9-10-11-12-17-29-21(25)18-23(2)22(26)19-13-15-20(16-14-19)24(27)28/h13-16H,3-12,17-18H2,1-2H3
InChIKey BLMNBZPEUDUOAT-UHFFFAOYSA-N
Molecular Weight 406.523 g/mol
SMILES C1=CC(=CC=C1C(N(CC(OCCCCCCCCCCCC)=O)C)=O)N(=O)=O