4-((4S,4aS,6R,8aS)-2,2-dimethyl-6-(3-oxobutyl)hexahydro-4H-benzo[d][1,3]dioxin-4-yl)benzonitrile

SpectraBase Compound ID	DlizHw54YNZ
InChI	InChI=1S/C21H27NO3/c1-14(23)4-5-15-8-11-19-18(12-15)20(25-21(2,3)24-19)17-9-6-16(13-22)7-10-17/h6-7,9-10,15,18-20H,4-5,8,11-12H2,1-3H3/t15-,18-,19+,20+/m0/s1
InChIKey	HDMGYGKNHQJQRT-KCUHQSDYSA-N Google Search
Mol Weight	341.45 g/mol
Molecular Formula	C21H27NO3
Exact Mass	341.199094 g/mol

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SpectraBase Spectrum ID	35KhFVsQQAG
Name	4-((4S,4aS,6R,8aS)-2,2-dimethyl-6-(3-oxobutyl)hexahydro-4H-benzo[d][1,3]dioxin-4-yl)benzonitrile
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C21H27NO3
InChI	InChI=1S/C21H27NO3/c1-14(23)4-5-15-8-11-19-18(12-15)20(25-21(2,3)24-19)17-9-6-16(13-22)7-10-17/h6-7,9-10,15,18-20H,4-5,8,11-12H2,1-3H3/t15-,18-,19+,20+/m0/s1
InChIKey	HDMGYGKNHQJQRT-KCUHQSDYSA-N
Molecular Weight	341.451 g/mol
SMILES	C1[C@@]2([C@](C[C@](C1)(CCC(C)=O)[H])([C@](OC(O2)(C)C)(c1ccc(cc1)C#N)[H])[H])[H]
SPLASH	splash10-000l-0049000000-763c1e9b938d3581298b
Source of Spectrum	ASC-358-3706/SM21-11c
Synonyms	4-((4S,4aS,6R,8aR)-2,2-dimethyl-6-(3-oxobutyl)hexahydro-4H-benzo[d][1,3]dioxin-4-yl)benzonitrile
Wiley ID	1803545