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4'-bromo-1',4'-dihydro-2'-n-butylspiro[cycloheptane-1,3'(2'H)-isoquinolin]-1'-one
SpectraBase Compound ID CONQcFSo1ff
InChI InChI=1S/C19H26BrNO/c1-2-3-14-21-18(22)16-11-7-6-10-15(16)17(20)19(21)12-8-4-5-9-13-19/h6-7,10-11,17H,2-5,8-9,12-14H2,1H3
InChIKey INQCRBUKNYNGGZ-UHFFFAOYSA-N
Mol Weight 364.33 g/mol
Molecular Formula C19H26BrNO
Exact Mass 363.119777 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EBpz7axarTa
Name 4'-bromo-1',4'-dihydro-2'-n-butylspiro[cycloheptane-1,3'(2'H)-isoquinolin]-1'-one
CAS Registry Number 120637-34-5
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H26BrNO
InChI InChI=1S/C19H26BrNO/c1-2-3-14-21-18(22)16-11-7-6-10-15(16)17(20)19(21)12-8-4-5-9-13-19/h6-7,10-11,17H,2-5,8-9,12-14H2,1H3
InChIKey INQCRBUKNYNGGZ-UHFFFAOYSA-N
Molecular Weight 364.327 g/mol
SMILES C1(N(C2(C(c3ccccc13)Br)CCCCCC2)CCCC)=O
SPLASH splash10-001i-0093000000-cdfd7e27a8524d92aec1
Source of Spectrum J-54-2996-22
Synonyms 4'-bromo-2'-butyl-2',4'-dihydro-1'H-spiro[cycloheptane-1,3'-isoquinoline]-1'-one
Wiley ID 1350223