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Eseroline, benzylcarbamate(ester)

View entire compound with spectra: 1 NMR

Eseroline, benzylcarbamate(ester)
SpectraBase Compound ID tL8dbT6IUP
InChI InChI=1S/C21H25N3O2/c1-21-11-12-23(2)19(21)24(3)18-10-9-16(13-17(18)21)26-20(25)22-14-15-7-5-4-6-8-15/h4-10,13,19H,11-12,14H2,1-3H3,(H,22,25)
InChIKey TZWAHCVRZYUKJR-UHFFFAOYSA-N
Mol Weight 351.45 g/mol
Molecular Formula C21H25N3O2
Exact Mass 351.194677 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FAPvI3ZLzR0
Name Eseroline, benzylcarbamate(ester)
Comments Computed using HOSE algorithm
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Exact Mass 351.194677055 u
Formula C21H25N3O2
InChI InChI=1S/C21H25N3O2/c1-21-11-12-23(2)19(21)24(3)18-10-9-16(13-17(18)21)26-20(25)22-14-15-7-5-4-6-8-15/h4-10,13,19H,11-12,14H2,1-3H3,(H,22,25)
InChIKey TZWAHCVRZYUKJR-UHFFFAOYSA-N
Molecular Weight 351.450 g/mol
SMILES C1=C(C=CC2=C1C1(CCN(C1N2C)C)C)OC(=O)NCC1=CC=CC=C1