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Tris(6-methylheptyl) 3,3',3''-(1-methyl-1H-indole-2,3,6-triyl)triacrylate

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Tris(6-methylheptyl) 3,3',3''-(1-methyl-1H-indole-2,3,6-triyl)triacrylate
SpectraBase Compound ID HMUDlGdA4k8
InChI InChI=1S/C42H63NO6/c1-32(2)17-11-8-14-28-47-40(44)25-21-35-20-22-37-36(23-26-41(45)48-29-15-9-12-18-33(3)4)38(43(7)39(37)31-35)24-27-42(46)49-30-16-10-13-19-34(5)6/h20-27,31-34H,8-19,28-30H2,1-7H3/b25-21+,26-23+,27-24+
InChIKey PHFHQRFYKAWAGQ-CCACKFATSA-N
Mol Weight 678.0 g/mol
Molecular Formula C42H63NO6
Exact Mass 677.465539 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JSONXtDK3pC
Name Tris(6-methylheptyl) 3,3',3''-(1-methyl-1H-indole-2,3,6-triyl)triacrylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 677.465538747 u
Formula C42H63NO6
InChI InChI=1S/C42H63NO6/c1-32(2)17-11-8-14-28-47-40(44)25-21-35-20-22-37-36(23-26-41(45)48-29-15-9-12-18-33(3)4)38(43(7)39(37)31-35)24-27-42(46)49-30-16-10-13-19-34(5)6/h20-27,31-34H,8-19,28-30H2,1-7H3/b25-21+,26-23+,27-24+
InChIKey PHFHQRFYKAWAGQ-CCACKFATSA-N
Molecular Weight 677.967 g/mol
SMILES C=1(N(C=2C=C(\C=C\C(=O)OCCCCCC(C)C)C=CC2C1\C=C\C(=O)OCCCCCC(C)C)C)\C=C\C(=O)OCCCCCC(C)C