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1H-Indole-2,6-dione, 3a-(acetyloxy)-5-bromo-7-chloro-3,3a,7,7a-tetrahydro-, [3aS-(3a.alpha.,7.alpha.,7a.alpha.)]-
SpectraBase Compound ID Chd6VjrN3Yt
InChI InChI=1S/C10H9BrClNO4/c1-4(14)17-10-2-5(11)8(16)7(12)9(10)13-6(15)3-10/h2,7,9H,3H2,1H3,(H,13,15)/t7-,9+,10-/m1/s1
InChIKey CCJUZDGBLQVJHN-FKTZTGRPSA-N
Mol Weight 322.54 g/mol
Molecular Formula C10H9BrClNO4
Exact Mass 320.940348 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4OsqI5K2fNp
Name 1H-Indole-2,6-dione, 3a-(acetyloxy)-5-bromo-7-chloro-3,3a,7,7a-tetrahydro-, [3aS-(3a.alpha.,7.alpha.,7a.alpha.)]-
CAS Registry Number 93245-90-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H9BrClNO4
InChI InChI=1S/C10H9BrClNO4/c1-4(14)17-10-2-5(11)8(16)7(12)9(10)13-6(15)3-10/h2,7,9H,3H2,1H3,(H,13,15)/t7-,9+,10-/m1/s1
InChIKey CCJUZDGBLQVJHN-FKTZTGRPSA-N
Molecular Weight 322.542 g/mol
SMILES N1C(C[C@]2([C@@]1([C@@](C(C(=C2)Br)=O)(Cl)[H])[H])OC(=O)C)=O
SPLASH splash10-002f-9480000000-48f22171b344652756f5
Source of Spectrum H-67-1491-0
Synonyms (3aS,7S,7aR)-5-bromo-7-chloro-2,6-dioxo-1,2,3,6,7,7a-hexahydro-3aH-indol-3a-yl acetate 3.alpha..beta.-acetoxy-5-bromo-7.beta.-chloro-3,3.alpha.,7,7.alpha..beta.-tetrahydro-2,6(1H)-indoledione and 5-bromo-7.alpha.-chlorocavernicoline acetate 5-Bromo-7.beta.-chlorocavernicoline acetate
Wiley ID 1320720