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7-(3-Bromo-4,5-methylenedioxybenzyl)-1,2,3,3a,4,5-hexahydro-6H-indol-6-one
SpectraBase Compound ID 3WQZhIT81dW
InChI InChI=1S/C16H16BrNO3/c17-12-6-9(7-14-16(12)21-8-20-14)5-11-13(19)2-1-10-3-4-18-15(10)11/h6-7,10,18H,1-5,8H2
InChIKey WVARUWJZLONDJE-UHFFFAOYSA-N
Mol Weight 350.21 g/mol
Molecular Formula C16H16BrNO3
Exact Mass 349.031356 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ORHhZAd4Kk
Name 7-(3-Bromo-4,5-methylenedioxybenzyl)-1,2,3,3a,4,5-hexahydro-6H-indol-6-one
CAS Registry Number 68890-36-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16BrNO3
InChI InChI=1S/C16H16BrNO3/c17-12-6-9(7-14-16(12)21-8-20-14)5-11-13(19)2-1-10-3-4-18-15(10)11/h6-7,10,18H,1-5,8H2
InChIKey WVARUWJZLONDJE-UHFFFAOYSA-N
Molecular Weight 350.212 g/mol
SMILES N1CCC2CCC(C(=C12)Cc1cc2OCOc2c(c1)Br)=O
SPLASH splash10-0uka-0029000000-ecbe77b9a8c2174325ef
Source of Spectrum J-44-1079-0
Synonyms 7-[(7-bromo-1,3-benzodioxol-5-yl)methyl]-1,2,3,3a,4,5-hexahydro-6H-indol-6-one
Wiley ID 1341273