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7,22-bis(Phenylmethyl)-1,4,13,16-tetraoxa-7,10,19,22-tetrazacyclotetracosane

View entire compound with spectra: 1 NMR, and 1 MS (GC)

7,22-bis(Phenylmethyl)-1,4,13,16-tetraoxa-7,10,19,22-tetrazacyclotetracosane
SpectraBase Compound ID JJuAphpfpUr
InChI InChI=1S/C30H48N4O4/c1-3-7-29(8-4-1)27-33-15-11-31-13-19-35-23-24-36-20-14-32-12-16-34(28-30-9-5-2-6-10-30)18-22-38-26-25-37-21-17-33/h1-10,31-32H,11-28H2
InChIKey BSGFAPUVFHDSPI-UHFFFAOYSA-N
Mol Weight 528.7 g/mol
Molecular Formula C30H48N4O4
Exact Mass 528.367556 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID fm2xmQHvMy
Name 7,22-bis(Phenylmethyl)-1,4,13,16-tetraoxa-7,10,19,22-tetrazacyclotetracosane
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 528.367556038 u
Formula C30H48N4O4
InChI InChI=1S/C30H48N4O4/c1-3-7-29(8-4-1)27-33-15-11-31-13-19-35-23-24-36-20-14-32-12-16-34(28-30-9-5-2-6-10-30)18-22-38-26-25-37-21-17-33/h1-10,31-32H,11-28H2
InChIKey BSGFAPUVFHDSPI-UHFFFAOYSA-N
Molecular Weight 528.738 g/mol
SMILES C(N1CCNCCOCCOCCNCCN(CCOCCOCC1)CC=1C=CC=CC1)C=1C=CC=CC1