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5-Bromo-3-(ethoxymethyl)-1-[4-(p-methoxyphenoxy)-2-butynyl]-2-[(p-methoxyphenoxy)methyl]indole
SpectraBase Compound ID 5ELLXDBnh4w
InChI InChI=1S/C30H30BrNO5/c1-4-35-20-28-27-19-22(31)7-16-29(27)32(30(28)21-37-26-14-10-24(34-3)11-15-26)17-5-6-18-36-25-12-8-23(33-2)9-13-25/h7-16,19H,4,17-18,20-21H2,1-3H3
InChIKey KRYQBISPUXNKCZ-UHFFFAOYSA-N
Mol Weight 564.48 g/mol
Molecular Formula C30H30BrNO5
Exact Mass 563.130736 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FylZZ5gG1LE
Name 5-Bromo-3-(ethoxymethyl)-1-[4-(p-methoxyphenoxy)-2-butynyl]-2-[(p-methoxyphenoxy)methyl]indole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 563.130736065 u
Formula C30H30BrNO5
InChI InChI=1S/C30H30BrNO5/c1-4-35-20-28-27-19-22(31)7-16-29(27)32(30(28)21-37-26-14-10-24(34-3)11-15-26)17-5-6-18-36-25-12-8-23(33-2)9-13-25/h7-16,19H,4,17-18,20-21H2,1-3H3
InChIKey KRYQBISPUXNKCZ-UHFFFAOYSA-N
Molecular Weight 564.476 g/mol
SMILES C=12C=C(C=CC1N(C(=C2COCC)COC=1C=CC(=CC1)OC)CC#CCOC=1C=CC(=CC1)OC)Br