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5-(4,5-dimethoxy-2-nitro-benzyl)oxy-5-keto-valeric acid
SpectraBase Compound ID IJJQYpTuKKe
InChI InChI=1S/C14H17NO8/c1-21-11-6-9(10(15(19)20)7-12(11)22-2)8-23-14(18)5-3-4-13(16)17/h6-7H,3-5,8H2,1-2H3,(H,16,17)
InChIKey MSPFMZDKLXGBMN-UHFFFAOYSA-N
Mol Weight 327.29 g/mol
Molecular Formula C14H17NO8
Exact Mass 327.095417 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FUVZnzHCc6t
Name 5-(4,5-dimethoxy-2-nitro-benzyl)oxy-5-keto-valeric acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H17NO8
InChI InChI=1S/C14H17NO8/c1-21-11-6-9(10(15(19)20)7-12(11)22-2)8-23-14(18)5-3-4-13(16)17/h6-7H,3-5,8H2,1-2H3,(H,16,17)
InChIKey MSPFMZDKLXGBMN-UHFFFAOYSA-N
Molecular Weight 327.289 g/mol
SMILES OC(CCCC(OCc1c(cc(OC)c(c1)OC)[N+](=O)[O-])=O)=O
SPLASH splash10-00kr-0900000000-dc858d768ed2c6085f7d
Source of Spectrum A1-9-2649/SMS4-2c
Synonyms 5-[(4,5-dimethoxy-2-nitro-phenyl)methoxy]-5-oxidanylidene-pentanoic acid Glutaric acid mono-(4,5-dimethoxy-2-nitro-benzyl) ester 5-[(4,5-dimethoxy-2-nitro-phenyl)methoxy]-5-oxo-pentanoic acid 5-((4,5-dimethoxy-2-nitrobenzyl)oxy)-5-oxopentanoic acid 5-[(4,5-dimethoxy-2-nitrophenyl)methoxy]-5-oxopentanoic acid
Wiley ID 1758199