1-ALPHA,6-ALPHA-6-BENZYL-4,4,7-TRIMETHYL-5-OXOBICYCLO-[4.2.0]-OCTANE-7-ENDO-CARBONITRILE

SpectraBase Compound ID	L0tESBtbAlz
InChI	InChI=1S/C19H23NO/c1-17(2)10-15-18(3,13-20)12-19(15,16(21)11-17)9-14-7-5-4-6-8-14/h4-8,15H,9-12H2,1-3H3/t15-,18-,19+/m0/s1
InChIKey	WXITXJBBIAXBQH-ZYSHUDEJSA-N Google Search
Mol Weight	281.4 g/mol
Molecular Formula	C19H23NO
Exact Mass	281.177964 g/mol

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SpectraBase Spectrum ID	2YPBFy5i3nP
Name	(1R,6S,7R)-2-Oxo-1-benzyl-4,4,7-trimethylbicyclo[4.2.0]octane-7-(endo)-carbonitrile
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C19H23NO
InChI	InChI=1S/C19H23NO/c1-17(2)10-15-18(3,13-20)12-19(15,16(21)11-17)9-14-7-5-4-6-8-14/h4-8,15H,9-12H2,1-3H3/t15-,18-,19+/m0/s1
InChIKey	WXITXJBBIAXBQH-ZYSHUDEJSA-N
Molecular Weight	281.399 g/mol
SMILES	[C@]12([C@]([C@@](C#N)(C)C2)(CC(C)(C)CC1=O)[H])Cc1ccccc1
SPLASH	splash10-0006-9030000000-47518847dd29359fc870
Source of Spectrum	I-81-421-11
Synonyms	(1R,6S,7R)-1-benzyl-4,4,7-trimethyl-2-oxobicyclo[4.2.0]octane-7-carbonitrile 5-Oxo-6-benzyl-3,3,7-trimethylbicyclo[4.2.0]octane-7-(endo)-carbonitrile
Wiley ID	1517387