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(2S,4R)-1-(5,6-dihydrobenzo[h]quinazolin-4-yl)-4-hydroxy-2-pyrrolidinecarboxylic acid
SpectraBase Compound ID HfC9fR7g5Rl
InChI InChI=1S/C17H17N3O3/c21-11-7-14(17(22)23)20(8-11)16-13-6-5-10-3-1-2-4-12(10)15(13)18-9-19-16/h1-4,9,11,14,21H,5-8H2,(H,22,23)/t11-,14+/m1/s1
InChIKey WFLRIUVVHWRGAA-RISCZKNCSA-N
Mol Weight 311.34 g/mol
Molecular Formula C17H17N3O3
Exact Mass 311.126991 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ICE1zBMnqho
Name (2S,4R)-1-(5,6-dihydrobenzo[h]quinazolin-4-yl)-4-hydroxy-2-pyrrolidinecarboxylic acid
CAS Registry Number 97249-03-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17N3O3
InChI InChI=1S/C17H17N3O3/c21-11-7-14(17(22)23)20(8-11)16-13-6-5-10-3-1-2-4-12(10)15(13)18-9-19-16/h1-4,9,11,14,21H,5-8H2,(H,22,23)/t11-,14+/m1/s1
InChIKey WFLRIUVVHWRGAA-RISCZKNCSA-N
Molecular Weight 311.341 g/mol
SMILES OC([C@]1(N(C[C@@](C1)(O)[H])c1c2c(-c3ccccc3CC2)ncn1)[H])=O
SPLASH splash10-0002-0090000000-84b5bc43500bac305108
Source of Spectrum Y-22-189-9
Synonyms (2S,4R)-1-(5,6-dihydrobenzo[h]quinazolin-4-yl)-4-hydroxy-proline (2S,4R)-1-(5,6-dihydrobenzo[h]quinazolin-4-yl)-4-hydroxy-pyrrolidine-2-carboxylic acid (2S,4R)-1-(5,6-dihydrobenzo[h]quinazolin-4-yl)-4-oxidanyl-pyrrolidine-2-carboxylic acid
Wiley ID 1312419