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4'-bromo-1',4'-dihydro-2'-n-butylspiro[cyclohexane-1,3'(2'H)-isoquinolin]-1'-one
SpectraBase Compound ID DZEDsfmMFvp
InChI InChI=1S/C18H24BrNO/c1-2-3-13-20-17(21)15-10-6-5-9-14(15)16(19)18(20)11-7-4-8-12-18/h5-6,9-10,16H,2-4,7-8,11-13H2,1H3
InChIKey RFALMGGLDWOWAF-UHFFFAOYSA-N
Mol Weight 350.3 g/mol
Molecular Formula C18H24BrNO
Exact Mass 349.104127 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HqsX0XKQkSX
Name 4'-bromo-1',4'-dihydro-2'-n-butylspiro[cyclohexane-1,3'(2'H)-isoquinolin]-1'-one
CAS Registry Number 120637-32-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H24BrNO
InChI InChI=1S/C18H24BrNO/c1-2-3-13-20-17(21)15-10-6-5-9-14(15)16(19)18(20)11-7-4-8-12-18/h5-6,9-10,16H,2-4,7-8,11-13H2,1H3
InChIKey RFALMGGLDWOWAF-UHFFFAOYSA-N
Molecular Weight 350.300 g/mol
SMILES C1(N(C2(C(c3ccccc13)Br)CCCCC2)CCCC)=O
SPLASH splash10-00di-0094000000-6546ae44b79b726ac0a7
Source of Spectrum J-54-2995-22
Synonyms 4'-bromo-2'-butyl-2',4'-dihydro-1'H-spiro[cyclohexane-1,3'-isoquinoline]-1'-one
Wiley ID 1341336