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(R,Z)-11-Carboxymethylidene-2,3,4,6,11,11a-hexahydro-1H-pyrido[1,2-b]isoquinolin-6-one
SpectraBase Compound ID 5havmmROXaG
InChI InChI=1S/C15H15NO3/c17-14(18)9-12-10-5-1-2-6-11(10)15(19)16-8-4-3-7-13(12)16/h1-2,5-6,9,13H,3-4,7-8H2,(H,17,18)/b12-9-/t13-/m1/s1
InChIKey DENKZNDEVNPWNZ-KIWPFMIBSA-N
Mol Weight 257.29 g/mol
Molecular Formula C15H15NO3
Exact Mass 257.105193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I2lCjgVgt8b
Name (R,Z)-11-Carboxymethylidene-2,3,4,6,11,11a-hexahydro-1H-pyrido[1,2-b]isoquinolin-6-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H15NO3
InChI InChI=1S/C15H15NO3/c17-14(18)9-12-10-5-1-2-6-11(10)15(19)16-8-4-3-7-13(12)16/h1-2,5-6,9,13H,3-4,7-8H2,(H,17,18)/b12-9-/t13-/m1/s1
InChIKey DENKZNDEVNPWNZ-KIWPFMIBSA-N
Molecular Weight 257.289 g/mol
SMILES OC(\C=C/1[C@@]2(N(C(c3c1cccc3)=O)CCCC2)[H])=O
SPLASH splash10-08i0-3980000000-d14ac029a7bcc5995985
Source of Spectrum O1-60-68-15
Synonyms (R,Z)-11-Carboxymethylidene-2.3,4,6,11,11a-hexahydro-1H-pyrido[1,2-b]isoquinolin-6-one (2Z)-((11aR)-6-oxo-1,3,4,11a-tetrahydro-2H-pyrido[1,2-b]isoquinolin-11(6H)-ylidene)ethanoic acid
Wiley ID 1591899