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5-CHLORO-CAVERNICOLIN
SpectraBase Compound ID 1XzUirXltvf
InChI InChI=1S/C8H8ClNO3/c9-4-2-8(13)3-7(12)10-6(8)1-5(4)11/h2,6,13H,1,3H2,(H,10,12)/t6-,8+/m0/s1
InChIKey JMLNAHYKACAKPW-POYBYMJQSA-N
Mol Weight 201.61 g/mol
Molecular Formula C8H8ClNO3
Exact Mass 201.019271 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JaVxtBhEDqo
Name (3aS,7aS)-5-chloranyl-3a-oxidanyl-1,3,7,7a-tetrahydroindole-2,6-dione
Alternate Name(s) (3aS,7aS)-5-chloro-3a-hydroxy-1,3,7,7a-tetrahydroindole-2,6-dione (3aS,7aS)-5-chloro-3a-hydroxy-1,3,7,7a-tetrahydroindole-2,6-quinone
CAS Registry Number 93245-85-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H8ClNO3
InChI InChI=1S/C8H8ClNO3/c9-4-2-8(13)3-7(12)10-6(8)1-5(4)11/h2,6,13H,1,3H2,(H,10,12)/t6-,8+/m0/s1
InChIKey JMLNAHYKACAKPW-POYBYMJQSA-N
Molecular Weight 201.609 g/mol
SMILES N1C(C[C@@]2(C=C(Cl)C(C[C@]12[H])=O)O)=O
SPLASH splash10-00r6-9600000000-3c074f2ca0222376eb3c
Source of Spectrum H-67-1491-0
Wiley ID 1198574