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Bis(6-methylheptyl) 3,3'-(1-methyl-1H-indole-2,3-diyl)diacrylate

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Bis(6-methylheptyl) 3,3'-(1-methyl-1H-indole-2,3-diyl)diacrylate
SpectraBase Compound ID Hz4ChMyOzDr
InChI InChI=1S/C31H45NO4/c1-24(2)14-8-6-12-22-35-30(33)20-18-27-26-16-10-11-17-28(26)32(5)29(27)19-21-31(34)36-23-13-7-9-15-25(3)4/h10-11,16-21,24-25H,6-9,12-15,22-23H2,1-5H3/b20-18+,21-19+
InChIKey IIABIWBVHGAFJM-FRCMOREXSA-N
Mol Weight 495.7 g/mol
Molecular Formula C31H45NO4
Exact Mass 495.334859 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9CAogELPRHm
Name bis(6-Methylheptyl) 3,3'-(1-methyl-1H-indole-2,3-diyl)diacrylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 495.334858929 u
Formula C31H45NO4
InChI InChI=1S/C31H45NO4/c1-24(2)14-8-6-12-22-35-30(33)20-18-27-26-16-10-11-17-28(26)32(5)29(27)19-21-31(34)36-23-13-7-9-15-25(3)4/h10-11,16-21,24-25H,6-9,12-15,22-23H2,1-5H3/b20-18+,21-19+
InChIKey IIABIWBVHGAFJM-FRCMOREXSA-N
Molecular Weight 495.704 g/mol
SMILES C=1(N(C=2C=CC=CC2C1\C=C\C(=O)OCCCCCC(C)C)C)\C=C\C(=O)OCCCCCC(C)C