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2-(4-phenyl-quinolin-2-yl)-[1,2,5]oxadiazepane-5-carboxylic acid t-butyl ester
SpectraBase Compound ID IsYelJD64Ks
InChI InChI=1S/C24H27N3O3/c1-24(2,3)30-23(28)26-13-14-27(29-16-15-26)22-17-20(18-9-5-4-6-10-18)19-11-7-8-12-21(19)25-22/h4-12,17H,13-16H2,1-3H3
InChIKey XEHILBOAFNHEEY-UHFFFAOYSA-N
Mol Weight 405.5 g/mol
Molecular Formula C24H27N3O3
Exact Mass 405.205242 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5YEOZfjpz0a
Name 2-(4-phenyl-quinolin-2-yl)-[1,2,5]oxadiazepane-5-carboxylic acid t-butyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H27N3O3
InChI InChI=1S/C24H27N3O3/c1-24(2,3)30-23(28)26-13-14-27(29-16-15-26)22-17-20(18-9-5-4-6-10-18)19-11-7-8-12-21(19)25-22/h4-12,17H,13-16H2,1-3H3
InChIKey XEHILBOAFNHEEY-UHFFFAOYSA-N
Instrument Name LRMS
Ionization Type EI
Molecular Weight 405.498 g/mol
SMILES c12ccccc2nc(N2OCCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccccc1
SPLASH splash10-0a4j-4090000000-c2c0ae55332de5689722
Source of Spectrum JP2016000700A
Wiley ID 1852983