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Propanedioic acid, (bromomethyl)methyl-, bis[5,6-bis(hydroxyimino)heptyl] ester
SpectraBase Compound ID JVNZ7wD9NDq
InChI InChI=1S/C19H31BrN4O8/c1-13(21-27)15(23-29)8-4-6-10-31-17(25)19(3,12-20)18(26)32-11-7-5-9-16(24-30)14(2)22-28/h27-30H,4-12H2,1-3H3/b21-13+,22-14+,23-15-,24-16-
InChIKey RGXHZFUGWITYET-BDWHFOGQSA-N
Mol Weight 523.38 g/mol
Molecular Formula C19H31BrN4O8
Exact Mass 522.132527 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7anwcZGQlcM
Name Propanedioic acid, (bromomethyl)methyl-, bis[5,6-bis(hydroxyimino)heptyl] ester
CAS Registry Number 60004-38-8
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H31BrN4O8
InChI InChI=1S/C19H31BrN4O8/c1-13(21-27)15(23-29)8-4-6-10-31-17(25)19(3,12-20)18(26)32-11-7-5-9-16(24-30)14(2)22-28/h27-30H,4-12H2,1-3H3/b21-13+,22-14+,23-15-,24-16-
InChIKey RGXHZFUGWITYET-BDWHFOGQSA-N
Molecular Weight 523.381 g/mol
SMILES O\N=C\(\C(CCCCOC(C(C(OCCCC\C(=N\O)\C(=N\O)C)=O)(CBr)C)=O)=N\O)C
SPLASH splash10-052f-9500000000-63ccb10ebba15b91ae2e
Source of Spectrum H-61-1581-0
Synonyms Bis[(5Z,6E)-5,6-bis(hydroxyimino)heptyl] 2-(bromomethyl)-2-methylmalonate Bis(5,6-dihydroxyiminoheptyl) ester of Bromomethylmethylmalonic acid
Wiley ID 1402176