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4'-bromo-1',4'-dihydro-2'-n-butyl-4-tert-butyl[cyclohexane-1,3'(2'H)-isoquinolin]-1'-one
SpectraBase Compound ID 7x2HVtFAEL0
InChI InChI=1S/C22H32BrNO/c1-5-6-15-24-20(25)18-10-8-7-9-17(18)19(23)22(24)13-11-16(12-14-22)21(2,3)4/h7-10,16,19H,5-6,11-15H2,1-4H3
InChIKey BCFDKGHWSDLURJ-UHFFFAOYSA-N
Mol Weight 406.4 g/mol
Molecular Formula C22H32BrNO
Exact Mass 405.166728 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2ql3ppemUJV
Name 4'-bromo-1',4'-dihydro-2'-n-butyl-4-tert-butyl[cyclohexane-1,3'(2'H)-isoquinolin]-1'-one
Alternate Name(s) 4'-bromo-2'-butyl-4-tert-butyl-2',4'-dihydro-1'H-spiro[cyclohexane-1,3'-isoquinoline]-1'-one
CAS Registry Number 120637-33-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H32BrNO
InChI InChI=1S/C22H32BrNO/c1-5-6-15-24-20(25)18-10-8-7-9-17(18)19(23)22(24)13-11-16(12-14-22)21(2,3)4/h7-10,16,19H,5-6,11-15H2,1-4H3
InChIKey BCFDKGHWSDLURJ-UHFFFAOYSA-N
Molecular Weight 406.408 g/mol
SMILES C12(N(C(c3c(C2Br)cccc3)=O)CCCC)CCC(C(C)(C)C)CC1
SPLASH splash10-004i-0069200000-315cd48b085bc212717d
Source of Spectrum J-54-2995-22
Wiley ID 1371760