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(1S,6R)-6-Benzyloxycarbonylamino-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
SpectraBase Compound ID BFOsah60jHE
InChI InChI=1S/C17H21NO4/c1-11-8-14(16(19)20)15(9-12(11)2)18-17(21)22-10-13-6-4-3-5-7-13/h3-7,14-15H,8-10H2,1-2H3,(H,18,21)(H,19,20)/t14-,15+/m0/s1
InChIKey BNHKZPKNHIPWAP-LSDHHAIUSA-N
Mol Weight 303.36 g/mol
Molecular Formula C17H21NO4
Exact Mass 303.147058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AO7FgYak8uH
Name (1S,6R)-6-Benzyloxycarbonylamino-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
Alternate Name(s) (1S,6R)-6-{[(benzyloxy)carbonyl]amino}-3,4-dimethyl-3-cyclohexene-1-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21NO4
InChI InChI=1S/C17H21NO4/c1-11-8-14(16(19)20)15(9-12(11)2)18-17(21)22-10-13-6-4-3-5-7-13/h3-7,14-15H,8-10H2,1-2H3,(H,18,21)(H,19,20)/t14-,15+/m0/s1
InChIKey BNHKZPKNHIPWAP-LSDHHAIUSA-N
Molecular Weight 303.358 g/mol
SMILES N(C(=O)OCc1ccccc1)[C@]1([C@@](C(=O)O)(CC(=C(C1)C)C)[H])[H]
SPLASH splash10-0k96-5900000000-aa7d6acb9bf1e24d0d23
Source of Spectrum SO-0-1726-13
Wiley ID 878565