For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2-(1,3,4,6,7,8-Hexahydro-3,3-dimethyl-9-nitro-6-oxo-2H-pyrido[1,2-a]pyrimidin-7-yl)acetic Acid
SpectraBase Compound ID LmLV4TmctLz
InChI InChI=1S/C12H17N3O5/c1-12(2)5-13-10-8(15(19)20)3-7(4-9(16)17)11(18)14(10)6-12/h7,13H,3-6H2,1-2H3,(H,16,17)
InChIKey MZTIPKCCWMVJNK-UHFFFAOYSA-N
Mol Weight 283.28 g/mol
Molecular Formula C12H17N3O5
Exact Mass 283.116821 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 40bGqPPNHLV
Name 2-(1,3,4,6,7,8-Hexahydro-3,3-dimethyl-9-nitro-6-oxo-2H-pyrido[1,2-a]pyrimidin-7-yl)acetic Acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17N3O5
InChI InChI=1S/C12H17N3O5/c1-12(2)5-13-10-8(15(19)20)3-7(4-9(16)17)11(18)14(10)6-12/h7,13H,3-6H2,1-2H3,(H,16,17)
InChIKey MZTIPKCCWMVJNK-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.201100274
Molecular Weight 283.284 g/mol
SMILES N1CC(CN2C1=C(CC(CC(=O)O)C2=O)[N+](=O)[O-])(C)C
SPLASH splash10-0a4i-9210000000-3de0f327393810b38013
Source of Spectrum H-95-155-2d
Synonyms 2-(3,3-dimethyl-9-nitro-6-oxo-1,3,4,6,7,8-hexahydro-2H-pyrido[1,2-a]pyrimidin-7-yl)acetic acid
Wiley ID 1786133