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1',4'-dihydro-2'-n-butylspiro[cyclohexane-1,3'(2'H)-isoquinolin]-1'-one
SpectraBase Compound ID DtzyASHEYa3
InChI InChI=1S/C18H25NO/c1-2-3-13-19-17(20)16-10-6-5-9-15(16)14-18(19)11-7-4-8-12-18/h5-6,9-10H,2-4,7-8,11-14H2,1H3
InChIKey IGGKEOZQTAPNCB-UHFFFAOYSA-N
Mol Weight 271.4 g/mol
Molecular Formula C18H25NO
Exact Mass 271.193614 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IQBi4hpbOFA
Name 1',4'-dihydro-2'-n-butylspiro[cyclohexane-1,3'(2'H)-isoquinolin]-1'-one
Alternate Name(s) 2'-butyl-2',4'-dihydro-1'H-spiro[cyclohexane-1,3'-isoquinoline]-1'-one
CAS Registry Number 110773-49-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H25NO
InChI InChI=1S/C18H25NO/c1-2-3-13-19-17(20)16-10-6-5-9-15(16)14-18(19)11-7-4-8-12-18/h5-6,9-10H,2-4,7-8,11-14H2,1H3
InChIKey IGGKEOZQTAPNCB-UHFFFAOYSA-N
Molecular Weight 271.404 g/mol
SMILES C1(N(C2(CCCCC2)Cc2c1cccc2)CCCC)=O
SPLASH splash10-0kor-0490000000-32a58f0d56b930c64313
Source of Spectrum J-54-2995-6
Wiley ID 1275507