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2-[(E)-2'-(4""-Formylphenyl)vinyl][1H]-1N-tert-butyloxycarbonylpyrrole
SpectraBase Compound ID Bk7WdjuLSyk
InChI InChI=1S/C18H19NO3/c1-18(2,3)22-17(21)19-12-4-5-16(19)11-10-14-6-8-15(13-20)9-7-14/h4-13H,1-3H3/b11-10+
InChIKey FVMXCPSFZLMEPG-ZHACJKMWSA-N
Mol Weight 297.35 g/mol
Molecular Formula C18H19NO3
Exact Mass 297.136493 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6p8mthnVYeg
Name 2-[(E)-2'-(4""-Formylphenyl)vinyl][1H]-1N-tert-butyloxycarbonylpyrrole
Comments Computed using HOSE algorithm
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Exact Mass 297.136493473 u
Formula C18H19NO3
InChI InChI=1S/C18H19NO3/c1-18(2,3)22-17(21)19-12-4-5-16(19)11-10-14-6-8-15(13-20)9-7-14/h4-13H,1-3H3/b11-10+
InChIKey FVMXCPSFZLMEPG-ZHACJKMWSA-N
Molecular Weight 297.354 g/mol
SMILES C(N1C(\C=C\C=2C=CC(C=O)=CC2)=CC=C1)(OC(C)(C)C)=O