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2(1H)-Pyrimidinone, 1-(4-iodobutyl)-4-[(triphenylmethyl)amino]-

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2(1H)-Pyrimidinone, 1-(4-iodobutyl)-4-[(triphenylmethyl)amino]-
SpectraBase Compound ID 88hej4GOItE
InChI InChI=1S/C27H26IN3O/c28-19-10-11-20-31-21-18-25(29-26(31)32)30-27(22-12-4-1-5-13-22,23-14-6-2-7-15-23)24-16-8-3-9-17-24/h1-9,12-18,21H,10-11,19-20H2,(H,29,30,32)
InChIKey BUPFQLPBXKWXHH-UHFFFAOYSA-N
Mol Weight 535.43 g/mol
Molecular Formula C27H26IN3O
Exact Mass 535.112057 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ESU0nrgVVdo
Name 2(1H)-Pyrimidinone, 1-(4-iodobutyl)-4-[(triphenylmethyl)amino]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 535.112057468 u
Formula C27H26IN3O
InChI InChI=1S/C27H26IN3O/c28-19-10-11-20-31-21-18-25(29-26(31)32)30-27(22-12-4-1-5-13-22,23-14-6-2-7-15-23)24-16-8-3-9-17-24/h1-9,12-18,21H,10-11,19-20H2,(H,29,30,32)
InChIKey BUPFQLPBXKWXHH-UHFFFAOYSA-N
Molecular Weight 535.429 g/mol
SMILES C1(N=C(C=CN1CCCCI)NC(C1=CC=CC=C1)(C1=CC=CC=C1)C=1C=CC=CC1)=O