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1',4'-dihydro-2'-n-butylspiro[cycloheptane-1,3'(2'H)-isoquinolin]-1'-one
SpectraBase Compound ID 6HUAgNPgwt0
InChI InChI=1S/C19H27NO/c1-2-3-14-20-18(21)17-11-7-6-10-16(17)15-19(20)12-8-4-5-9-13-19/h6-7,10-11H,2-5,8-9,12-15H2,1H3
InChIKey LDXVQWNKXGLLAK-UHFFFAOYSA-N
Mol Weight 285.43 g/mol
Molecular Formula C19H27NO
Exact Mass 285.209264 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 30CfKwGJ1Dt
Name 1',4'-dihydro-2'-n-butylspiro[cycloheptane-1,3'(2'H)-isoquinolin]-1'-one
Alternate Name(s) 2'-butyl-2',4'-dihydro-1'H-spiro[cycloheptane-1,3'-isoquinoline]-1'-one
CAS Registry Number 120637-19-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H27NO
InChI InChI=1S/C19H27NO/c1-2-3-14-20-18(21)17-11-7-6-10-16(17)15-19(20)12-8-4-5-9-13-19/h6-7,10-11H,2-5,8-9,12-15H2,1H3
InChIKey LDXVQWNKXGLLAK-UHFFFAOYSA-N
Molecular Weight 285.431 g/mol
SMILES C1(N(C2(CCCCCC2)Cc2c1cccc2)CCCC)=O
SPLASH splash10-0ktr-0290000000-b0b4c4e4732d8672b2e2
Source of Spectrum J-54-2995-6
Wiley ID 1289180