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1-(3'-Oxa-5'-chloropentyl)-2-acetyl-4-morpholino-1,2,4-triazolin-3,5-dione
SpectraBase Compound ID 90WIqWLPZzr
InChI InChI=1S/C12H19ClN4O5/c1-10(18)16-12(20)17(14-3-7-22-8-4-14)11(19)15(16)5-9-21-6-2-13/h2-9H2,1H3
InChIKey XFFCTNKBJSCHLN-UHFFFAOYSA-N
Mol Weight 334.76 g/mol
Molecular Formula C12H19ClN4O5
Exact Mass 334.104397 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HA5sYsq4wJm
Name 1-(3'-Oxa-5'-chloropentyl)-2-acetyl-4-morpholino-1,2,4-triazolin-3,5-dione
Alternate Name(s) 1-Acetyl-2-(2-(2-chloroethoxy)ethyl)-4-morpholino-1,2,4-triazolidine-3,5-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H19ClN4O5
InChI InChI=1S/C12H19ClN4O5/c1-10(18)16-12(20)17(14-3-7-22-8-4-14)11(19)15(16)5-9-21-6-2-13/h2-9H2,1H3
InChIKey XFFCTNKBJSCHLN-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.19760590736
Molecular Weight 334.760 g/mol
SMILES C1(N(N(C(N1N1CCOCC1)=O)CCOCCCl)C(=O)C)=O
SPLASH splash10-052u-9250000000-075c20359e4e3cc202b7
Source of Spectrum H-59-2608-16c
Wiley ID 1799989