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12H-7,11-Nitrilo-6H-dibenzo[b,k][1,4,7,10,13]pentaoxacycloeicosin, 8-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)-9-ethyl-19,20,22,23-tetrahydro-
SpectraBase Compound ID JNaB5rqNPZb
InChI InChI=1S/C30H34N2O6/c1-4-21-17-22-18-36-26-11-7-5-9-24(26)34-15-13-33-14-16-35-25-10-6-8-12-27(25)37-19-23(31-22)28(21)29-32-30(2,3)20-38-29/h5-12,17H,4,13-16,18-20H2,1-3H3
InChIKey UEAFXKXICPVUFT-UHFFFAOYSA-N
Mol Weight 518.6 g/mol
Molecular Formula C30H34N2O6
Exact Mass 518.241687 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2uZ4unuPyea
Name 12H-7,11-Nitrilo-6H-dibenzo[b,k][1,4,7,10,13]pentaoxacycloeicosin, 8-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)-9-ethyl-19,20,22,23-tetrahydro-
CAS Registry Number 87390-14-5
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H34N2O6
InChI InChI=1S/C30H34N2O6/c1-4-21-17-22-18-36-26-11-7-5-9-24(26)34-15-13-33-14-16-35-25-10-6-8-12-27(25)37-19-23(31-22)28(21)29-32-30(2,3)20-38-29/h5-12,17H,4,13-16,18-20H2,1-3H3
InChIKey UEAFXKXICPVUFT-UHFFFAOYSA-N
Molecular Weight 518.610 g/mol
SMILES C1(c2c3nc(cc2CC)COc2c(OCCOCCOc4c(OC3)cccc4)cccc2)=NC(C)(C)CO1
SPLASH splash10-0002-0900000000-8c085c6d0894d13a5203
Source of Spectrum F-39-2007-0
Synonyms 26-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-27-ethyl-3,10,13,16,23-pentaoxa-29-azatetracyclo[23.3.1.0(4,9).0(17,22)]nonacosa-1(29),4,6,8,17,19,21,25,27-nonaene Bis(benzo), (5',5'dimethyl isoxazolin-2'-yl)-4-ethyl pyridine derivative of 18-crown-6
Wiley ID 1401729