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Eseroline, 1-phenylmethyl, [6-methylphenyl]carbamate

View entire compound with spectra: 1 NMR

Eseroline, 1-phenylmethyl, [6-methylphenyl]carbamate
SpectraBase Compound ID 80jKVhsf3vc
InChI InChI=1S/C27H29N3O2/c1-19-9-7-8-12-23(19)28-26(31)32-21-13-14-24-22(17-21)27(2)15-16-30(25(27)29(24)3)18-20-10-5-4-6-11-20/h4-14,17,25H,15-16,18H2,1-3H3,(H,28,31)
InChIKey CJCQFCWEWLDDJI-UHFFFAOYSA-N
Mol Weight 427.55 g/mol
Molecular Formula C27H29N3O2
Exact Mass 427.225977 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BPvOEyXgQqu
Name Eseroline, 1-phenylmethyl, [6-methylphenyl]carbamate
Comments Computed using HOSE algorithm
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Exact Mass 427.225977184 u
Formula C27H29N3O2
InChI InChI=1S/C27H29N3O2/c1-19-9-7-8-12-23(19)28-26(31)32-21-13-14-24-22(17-21)27(2)15-16-30(25(27)29(24)3)18-20-10-5-4-6-11-20/h4-14,17,25H,15-16,18H2,1-3H3,(H,28,31)
InChIKey CJCQFCWEWLDDJI-UHFFFAOYSA-N
Molecular Weight 427.548 g/mol
SMILES C1(=C(C=CC=C1)C)NC(=O)OC1=CC=C2N(C)C3C(C2=C1)(CCN3CC1=CC=CC=C1)C