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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)-19,20,22,23-tetrahydro-
SpectraBase Compound ID 3KqP9r98oDq
InChI InChI=1S/C28H30N2O6/c1-28(2)19-36-27(30-28)21-12-11-20-17-34-25-9-5-3-7-23(25)32-15-13-31-14-16-33-24-8-4-6-10-26(24)35-18-22(21)29-20/h3-12H,13-19H2,1-2H3
InChIKey KTXDRTZBHHESBR-UHFFFAOYSA-N
Mol Weight 490.56 g/mol
Molecular Formula C28H30N2O6
Exact Mass 490.210387 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fx61XNqHqIM
Name 12H-7,11-Nitrilo-6H-dibenzo[b,k][1,4,7,10,13]pentaoxacycloeicosin, 8-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)-19,20,22,23-tetrahydro-
CAS Registry Number 87390-11-2
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H30N2O6
InChI InChI=1S/C28H30N2O6/c1-28(2)19-36-27(30-28)21-12-11-20-17-34-25-9-5-3-7-23(25)32-15-13-31-14-16-33-24-8-4-6-10-26(24)35-18-22(21)29-20/h3-12H,13-19H2,1-2H3
InChIKey KTXDRTZBHHESBR-UHFFFAOYSA-N
Molecular Weight 490.556 g/mol
SMILES C1(c2c3nc(cc2)COc2c(OCCOCCOc4c(OC3)cccc4)cccc2)=NC(C)(C)CO1
SPLASH splash10-0udi-0090100000-b4f3b2b8e17d6c8271b9
Source of Spectrum F-39-2007-0
Synonyms 26-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-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 pyridine derivative of 18-crown-6
Wiley ID 1397262