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cis 2'-Benzylhexahydrospiro[cyclopropane-1,1'-isoindol]-3'(2'H)-one
SpectraBase Compound ID 5Ld808JuwZT
InChI InChI=1S/C17H21NO/c19-16-14-8-4-5-9-15(14)17(10-11-17)18(16)12-13-6-2-1-3-7-13/h1-3,6-7,14-15H,4-5,8-12H2/t14-,15+/m1/s1
InChIKey QJTWUSXVVUNJQF-CABCVRRESA-N
Mol Weight 255.36 g/mol
Molecular Formula C17H21NO
Exact Mass 255.162314 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EOoowvUwqkb
Name cis 2'-Benzylhexahydrospiro[cyclopropane-1,1'-isoindol]-3'(2'H)-one
Alternate Name(s) (3a'R,7a'S)-2'-benzylhexahydrospiro[cyclopropane-1,1'-isoindol]-3'(2'H)-one
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Formula C17H21NO
InChI InChI=1S/C17H21NO/c19-16-14-8-4-5-9-15(14)17(10-11-17)18(16)12-13-6-2-1-3-7-13/h1-3,6-7,14-15H,4-5,8-12H2/t14-,15+/m1/s1
InChIKey QJTWUSXVVUNJQF-CABCVRRESA-N
Literature Reference DOI 10.1021/ol062938o
Molecular Weight 255.361 g/mol
SMILES C1CC11N(C([C@@]2(CCCC[C@]12[H])[H])=O)Cc1ccccc1
SPLASH splash10-0007-8940000000-d95c0186921e2a6ab0a7
Source of Spectrum A1-9-659/SMS3-4c
Wiley ID 1757868