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1',4'-dihydrospiro[cyclooctane-1,3'(2'H)-isoquinolin]-1'-one
SpectraBase Compound ID 2dV0cU2HsNO
InChI InChI=1S/C16H21NO/c18-15-14-9-5-4-8-13(14)12-16(17-15)10-6-2-1-3-7-11-16/h4-5,8-9H,1-3,6-7,10-12H2,(H,17,18)
InChIKey OKXWVQWFGORLED-UHFFFAOYSA-N
Mol Weight 243.35 g/mol
Molecular Formula C16H21NO
Exact Mass 243.162314 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EVYnalumFJb
Name 1',4'-dihydrospiro[cyclooctane-1,3'(2'H)-isoquinolin]-1'-one
Alternate Name(s) 2',4'-dihydro-1'H-spiro[cyclooctane-1,3'-isoquinoline]-1'-one
CAS Registry Number 120637-29-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21NO
InChI InChI=1S/C16H21NO/c18-15-14-9-5-4-8-13(14)12-16(17-15)10-6-2-1-3-7-11-16/h4-5,8-9H,1-3,6-7,10-12H2,(H,17,18)
InChIKey OKXWVQWFGORLED-UHFFFAOYSA-N
Molecular Weight 243.350 g/mol
SMILES N1C2(Cc3c(C1=O)cccc3)CCCCCCC2
SPLASH splash10-0a4i-0910000000-0a79418b899cc1d0a583
Source of Spectrum J-54-2995-17
Wiley ID 1246253