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2-(1,2,3,4,5,7,8,9-Octahydro-10-nitro-7-oxopyrido[1,2-a] [1,3]diazepin-8-yl)acetic Acid

View entire compound with spectra: 1 MS (GC)

2-(1,2,3,4,5,7,8,9-Octahydro-10-nitro-7-oxopyrido[1,2-a] [1,3]diazepin-8-yl)acetic Acid
SpectraBase Compound ID JhITGFLUQF6
InChI InChI=1S/C11H15N3O5/c15-9(16)6-7-5-8(14(18)19)10-12-3-1-2-4-13(10)11(7)17/h7,12H,1-6H2,(H,15,16)
InChIKey IELPNCPIJGXXJT-UHFFFAOYSA-N
Mol Weight 269.26 g/mol
Molecular Formula C11H15N3O5
Exact Mass 269.101171 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CVrQv4Hia
Name 2-(1,2,3,4,5,7,8,9-Octahydro-10-nitro-7-oxopyrido[1,2-a] [1,3]diazepin-8-yl)acetic Acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H15N3O5
InChI InChI=1S/C11H15N3O5/c15-9(16)6-7-5-8(14(18)19)10-12-3-1-2-4-13(10)11(7)17/h7,12H,1-6H2,(H,15,16)
InChIKey IELPNCPIJGXXJT-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.201100274
Molecular Weight 269.257 g/mol
SMILES N1CCCCN2C1=C(CC(CC(=O)O)C2=O)[N+](=O)[O-]
SPLASH splash10-0a4i-9780000000-cbc39308804dbd57f82b
Source of Spectrum H-95-155-2e
Synonyms 2-(10-nitro-7-oxo-1,2,3,4,5,7,8,9-octahydropyrido[1,2-a][1,3]diazepin-8-yl)acetic acid
Wiley ID 1786134