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

*Links on SpectraBase are not permalinks.
(S)-Methyl 1-[(S)-(hydroxycarbonyl)propyl]-1H-isoquinoliune-2-carboxylate
SpectraBase Compound ID KG2kw6FyUNH
InChI InChI=1S/C15H17NO4/c1-3-11(14(17)18)13-12-7-5-4-6-10(12)8-9-16(13)15(19)20-2/h4-9,11,13H,3H2,1-2H3,(H,17,18)/t11-,13-/m0/s1
InChIKey IYNYDILBSMGCCK-AAEUAGOBSA-N
Mol Weight 275.3 g/mol
Molecular Formula C15H17NO4
Exact Mass 275.115758 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 JinGXx7Tfuf
Name (S)-Methyl 1-[(S)-(hydroxycarbonyl)propyl]-1H-isoquinoliune-2-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H17NO4
InChI InChI=1S/C15H17NO4/c1-3-11(14(17)18)13-12-7-5-4-6-10(12)8-9-16(13)15(19)20-2/h4-9,11,13H,3H2,1-2H3,(H,17,18)/t11-,13-/m0/s1
InChIKey IYNYDILBSMGCCK-AAEUAGOBSA-N
Molecular Weight 275.304 g/mol
SMILES OC([C@]([C@@]1(N(C(=O)OC)C=Cc2ccccc12)[H])(CC)[H])=O
SPLASH splash10-0ktr-2900000000-76aa3f96cb3ca6ffa343
Source of Spectrum F5-6-2808-3b
Synonyms Methyl 1-[(hydroxycarbonyl)propyl]-1H-isoquinoliune-2-carboxylate (S)-2-((S)-2-(methoxycarbonyl)-1,2-dihydroisoquinolin-1-yl)butanoic acid
Wiley ID 1733513