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5-Chloro-UR-144 rearrangement product
SpectraBase Compound ID 6m4N5tS1zzG
InChI InChI=1S/C21H28ClNO/c1-16(2)21(3,4)14-20(24)18-15-23(13-9-5-8-12-22)19-11-7-6-10-17(18)19/h6-7,10-11,15H,1,5,8-9,12-14H2,2-4H3
InChIKey NMADSPMARWBLPH-UHFFFAOYSA-N
Mol Weight 345.91 g/mol
Molecular Formula C21H28ClNO
Exact Mass 345.185942 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 26bwhMwNpyb
Name 5-Chloro-UR-144 rearrangement product
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28ClNO
InChI InChI=1S/C21H28ClNO/c1-16(2)21(3,4)14-20(24)18-15-23(13-9-5-8-12-22)19-11-7-6-10-17(18)19/h6-7,10-11,15H,1,5,8-9,12-14H2,2-4H3
InChIKey NMADSPMARWBLPH-UHFFFAOYSA-N
Molecular Weight 345.914 g/mol
SMILES C(CC(C(=C)C)(C)C)(=O)c1c[n](c2ccccc12)CCCCCCl
SPLASH splash10-01pn-4984000000-04f4fa19de68e0e8bbc0
Source of Spectrum SWG-33-3436-0
Synonyms 5-Cl-UR-144 rearrangement product 1-(1-(5-chloropentyl)-1H-indol-3-yl)-3,3,4-trimethylpent-4-en-1-one
Wiley ID 1810255