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(S)-(+)-2-(Benzyloxycarbonyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid
SpectraBase Compound ID IzXIpO1LQDw
InChI InChI=1S/C18H17NO4/c20-17(21)16-10-14-8-4-5-9-15(14)11-19(16)18(22)23-12-13-6-2-1-3-7-13/h1-9,16H,10-12H2,(H,20,21)/t16-/m0/s1
InChIKey YWVQGUBCAUFBCP-INIZCTEOSA-N
Mol Weight 311.34 g/mol
Molecular Formula C18H17NO4
Exact Mass 311.115758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L7aOKlvCqSB
Name (S)-2-[(Benzyloxy)carbonyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic Acid
Appearance Colorless foam
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Formula C18H17NO4
InChI InChI=1S/C18H17NO4/c20-17(21)16-10-14-8-4-5-9-15(14)11-19(16)18(22)23-12-13-6-2-1-3-7-13/h1-9,16H,10-12H2,(H,20,21)/t16-/m0/s1
InChIKey YWVQGUBCAUFBCP-INIZCTEOSA-N
Instrument Name JEOL JMS-GC Mate II
Ionization Type EI
Literature Reference DOI 10.1021/acs.jmedchem.5b01965
Molecular Weight 311.337 g/mol
Optical Rotation [a]24D = +23.6 (c = 1.03, MeOH)
SMILES OC([C@]1(N(Cc2ccccc2C1)C(=O)OCc1ccccc1)[H])=O
SPLASH splash10-002f-9720000000-253d5bd31ec3b210d4e8
Source of Spectrum AF-59-2233-3
Wiley ID 1843808