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3-Amino-4-(4-chlorobenzyl)-1,2,4-oxadiazol-5-one

View entire compound with spectra: 1 MS (GC)

3-Amino-4-(4-chlorobenzyl)-1,2,4-oxadiazol-5-one
SpectraBase Compound ID 7KXlDldJ4Vs
InChI InChI=1S/C9H8ClN3O2/c10-7-3-1-6(2-4-7)5-13-8(11)12-15-9(13)14/h1-4H,5H2,(H2,11,12)
InChIKey HKCRAIJHDLPWJH-UHFFFAOYSA-N
Mol Weight 225.63 g/mol
Molecular Formula C9H8ClN3O2
Exact Mass 225.030504 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4V6Js8pa96z
Name 3-Amino-4-(4-chlorobenzyl)-1,2,4-oxadiazol-5-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H8ClN3O2
InChI InChI=1S/C9H8ClN3O2/c10-7-3-1-6(2-4-7)5-13-8(11)12-15-9(13)14/h1-4H,5H2,(H2,11,12)
InChIKey HKCRAIJHDLPWJH-UHFFFAOYSA-N
Molecular Weight 225.635 g/mol
SMILES NC1=NOC(N1Cc1ccc(cc1)Cl)=O
SPLASH splash10-004i-0910000000-6f587b6a0186718c5b00
Source of Spectrum D8-329-539-6
Synonyms 3-Amino-4-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-one 3-Azanyl-4-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-one
Wiley ID 1516314