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3-N-METHYLSCLEROTIORINAMINE
SpectraBase Compound ID L6SqAjVO0aB
InChI InChI=1S/C22H26ClNO4/c1-7-13(2)10-14(3)8-9-16-11-17-18(12-24(16)6)20(26)22(5,28-15(4)25)21(27)19(17)23/h8-13H,7H2,1-6H3/b9-8+,14-10+/t13?,22-/m1/s1
InChIKey KKWBFPZLUFVQGF-BQZFOHFJSA-N
Mol Weight 403.91 g/mol
Molecular Formula C22H26ClNO4
Exact Mass 403.155036 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Zw11Zz3lg
Name 8-N-Methyl-Sclerotiorinamine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H26ClNO4
InChI InChI=1S/C22H26ClNO4/c1-7-13(2)10-14(3)8-9-16-11-17-18(12-24(16)6)20(26)22(5,28-15(4)25)21(27)19(17)23/h8-13H,7H2,1-6H3/b9-8+,14-10+/t13?,22-/m1/s1
InChIKey KKWBFPZLUFVQGF-BQZFOHFJSA-N
Molecular Weight 403.906 g/mol
SMILES C=12C(=C(Cl)C([C@@](C2=O)(OC(=O)C)C)=O)C=C(N(C1)C)\C=C\C(=C\C(CC)C)C
SPLASH splash10-0j6r-4009300000-3a63429129f34a193978
Source of Spectrum G4-63-1304-2
Synonyms Acetic acid [(7R)-5-chloro-3-[(1E,3E)-3,5-dimethylhepta-1,3-dienyl]-2,7-dimethyl-6,8-dioxo-7-isoquinolinyl] ester [(7R)-5-chloro-3-[(1E,3E)-3,5-dimethylhepta-1,3-dienyl]-2,7-dimethyl-6,8-dioxoisoquinolin-7-yl] acetate [(7R)-5-chloro-3-[(1E,3E)-3,5-dimethylhepta-1,3-dienyl]-2,7-dimethyl-6,8-dioxo-7-isoquinolyl] acetate [(7R)-5-chloranyl-3-[(1E,3E)-3,5-dimethylhepta-1,3-dienyl]-2,7-dimethyl-6,8-bis(oxidanylidene)isoquinolin-7-yl] ethanoate
Wiley ID 1608613