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1-(2-Nitro-4,5-methylenedioxyphenyl)-2-(4'-chlorophenyl)acetylene
SpectraBase Compound ID CDyAKqiu2LA
InChI InChI=1S/C15H8ClNO4/c16-12-5-2-10(3-6-12)1-4-11-7-14-15(21-9-20-14)8-13(11)17(18)19/h2-3,5-8H,9H2
InChIKey NZUKAVXXMPYBHJ-UHFFFAOYSA-N
Mol Weight 301.69 g/mol
Molecular Formula C15H8ClNO4
Exact Mass 301.014185 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 158nnTmOPY
Name 1-(2-Nitro-4,5-methylenedioxyphenyl)-2-(4'-chlorophenyl)acetylene
Alternate Name(s) 5-[(4-chlorophenyl)ethynyl]-6-nitro-1,3-benzodioxole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H8ClNO4
InChI InChI=1S/C15H8ClNO4/c16-12-5-2-10(3-6-12)1-4-11-7-14-15(21-9-20-14)8-13(11)17(18)19/h2-3,5-8H,9H2
InChIKey NZUKAVXXMPYBHJ-UHFFFAOYSA-N
Molecular Weight 301.685 g/mol
SMILES c1(N(=O)=O)cc2OCOc2cc1C#Cc1ccc(cc1)Cl
SPLASH splash10-0h2r-0912000000-0824b92ea652ee6138b9
Source of Spectrum O1-31-1375-13
Wiley ID 818848