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(S,Z)-2-(6-Oxo-1,3,4,6,11,11a-hexahydro-2H-pyrido[1,2-b]isoquinolin-11-ylidene)acetic Acid
SpectraBase Compound ID I2fflaxfDKW
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-/m0/s1
InChIKey DENKZNDEVNPWNZ-SUIFULHWSA-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 8ACuhwVwW7C
Name (S,Z)-2-(6-Oxo-1,3,4,6,11,11a-hexahydro-2H-pyrido[1,2-b]isoquinolin-11-ylidene)acetic Acid
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-/m0/s1
InChIKey DENKZNDEVNPWNZ-SUIFULHWSA-N
Literature Reference DOI 10.1002_1615-4169(200209)344_8_855
Molecular Weight 257.289 g/mol
SMILES OC(\C=C/1[C@]2(N(C(c3ccccc13)=O)CCCC2)[H])=O
SPLASH splash10-08i0-3980000000-d14ac029a7bcc5995985
Source of Spectrum ASC-344-862-13
Synonyms (S,Z)-2-(6-oxo-3,4-dihydro-1H-pyrido[1,2-b]isoquinolin-11(2H,6H,11aH)-ylidene)acetic acid
Wiley ID 1767320