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2-Benzoxazolepropanenitrile, .alpha.-2-benzoxazolyl-.alpha.-(2-benzoxazolylmethyl)-
SpectraBase Compound ID 8BICtsWsUH
InChI InChI=1S/C25H16N4O3/c26-15-25(24-29-18-9-3-6-12-21(18)32-24,13-22-27-16-7-1-4-10-19(16)30-22)14-23-28-17-8-2-5-11-20(17)31-23/h1-12H,13-14H2
InChIKey ULMHNTQWQXLTQQ-UHFFFAOYSA-N
Mol Weight 420.43 g/mol
Molecular Formula C25H16N4O3
Exact Mass 420.12224 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID APzS4pz816q
Name 2-Benzoxazolepropanenitrile, .alpha.-2-benzoxazolyl-.alpha.-(2-benzoxazolylmethyl)-
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H16N4O3
InChI InChI=1S/C25H16N4O3/c26-15-25(24-29-18-9-3-6-12-21(18)32-24,13-22-27-16-7-1-4-10-19(16)30-22)14-23-28-17-8-2-5-11-20(17)31-23/h1-12H,13-14H2
InChIKey ULMHNTQWQXLTQQ-UHFFFAOYSA-N
Molecular Weight 420.428 g/mol
SMILES C(Cc1nc2ccccc2o1)(c1nc2ccccc2o1)(C#N)Cc1nc2ccccc2o1
SPLASH splash10-0019-5970100000-5f33992b4650922bb5c3
Source of Spectrum JX-2015-4-260
Synonyms 2,3-Bis(benzo[d]oxazol-2-yl)-2-(benzo[d]oxazol-2-ylmethyl)propanenitrile 2,3-Bis(1,3-benzoxazol-2-yl)-2-(1,3-benzoxazol-2-ylmethyl)propanenitrile
Wiley ID 1725708