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7,16-Bis[4-(1-oxopropyl)phenyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane

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7,16-Bis[4-(1-oxopropyl)phenyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
SpectraBase Compound ID 5aEnvRB23cF
InChI InChI=1S/C30H42N2O6/c1-3-29(33)25-5-9-27(10-6-25)31-13-17-35-21-23-37-19-15-32(16-20-38-24-22-36-18-14-31)28-11-7-26(8-12-28)30(34)4-2/h5-12H,3-4,13-24H2,1-2H3
InChIKey MTWRWJOHJBNBQY-UHFFFAOYSA-N
Mol Weight 526.7 g/mol
Molecular Formula C30H42N2O6
Exact Mass 526.304287 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3Zb9TCMr6XN
Name 7,16-bis[4-(1-Oxopropyl)phenyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 526.304287074 u
Formula C30H42N2O6
InChI InChI=1S/C30H42N2O6/c1-3-29(33)25-5-9-27(10-6-25)31-13-17-35-21-23-37-19-15-32(16-20-38-24-22-36-18-14-31)28-11-7-26(8-12-28)30(34)4-2/h5-12H,3-4,13-24H2,1-2H3
InChIKey MTWRWJOHJBNBQY-UHFFFAOYSA-N
Molecular Weight 526.674 g/mol
SMILES C1(N2CCOCCOCCN(CCOCCOCC2)C2=CC=C(C=C2)C(=O)CC)=CC=C(C=C1)C(=O)CC