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9-Oxo-1,2,3,3a,4,9-hexahydropyrrolo[2,1-b]quinazoline-1-carboxylic acid
SpectraBase Compound ID 8pjVw07RBfP
InChI InChI=1S/C12H12N2O3/c15-11-7-3-1-2-4-8(7)13-10-6-5-9(12(16)17)14(10)11/h1-4,9-10,13H,5-6H2,(H,16,17)/t9-,10+/m0/s1
InChIKey KGTCZGBKGKQSIW-VHSXEESVSA-N
Mol Weight 232.24 g/mol
Molecular Formula C12H12N2O3
Exact Mass 232.084792 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GtLGJgjL5i3
Name 9-Oxo-1,2,3,3a,4,9-hexahydropyrrolo[2,1-b]quinazoline-1-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12N2O3
InChI InChI=1S/C12H12N2O3/c15-11-7-3-1-2-4-8(7)13-10-6-5-9(12(16)17)14(10)11/h1-4,9-10,13H,5-6H2,(H,16,17)/t9-,10+/m0/s1
InChIKey KGTCZGBKGKQSIW-VHSXEESVSA-N
Molecular Weight 232.239 g/mol
SMILES N1c2ccccc2C(N2[C@](C(=O)O)(CC[C@]12[H])[H])=O
SPLASH splash10-0udr-0390000000-f2b0ffbeb82a75fd9cad
Source of Spectrum H1-51-1268-5
Synonyms (1S,3aR)-9-Oxo-1,2,3,3a,4,9-hexahydro-pyrrolo[2,1-b]quinazoline-1-carboxylic acid (1S,3aR)-9-oxo-2,3,3a,4-tetrahydro-1H-pyrrolo[2,1-b]quinazoline-1-carboxylic acid (1S,3aR)-9-oxidanylidene-2,3,3a,4-tetrahydro-1H-pyrrolo[2,1-b]quinazoline-1-carboxylic acid
Wiley ID 817116