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(S)-trans 2-(2'-(benzo[d][1,3]dioxol-5-yl)cyclopropyl)-4,4-dimethylpentan-3-one

View entire compound with spectra: 1 MS (GC)

(S)-trans 2-(2'-(benzo[d][1,3]dioxol-5-yl)cyclopropyl)-4,4-dimethylpentan-3-one
SpectraBase Compound ID IK0YQgeQZRj
InChI InChI=1S/C17H22O3/c1-10(16(18)17(2,3)4)12-8-13(12)11-5-6-14-15(7-11)20-9-19-14/h5-7,10,12-13H,8-9H2,1-4H3/t10-,12-,13-/m0/s1
InChIKey AXQOOEPMKKOEKH-DRZSPHRISA-N
Mol Weight 274.36 g/mol
Molecular Formula C17H22O3
Exact Mass 274.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BlH9Q9eApCK
Name (S)-trans 2-(2'-(benzo[d][1,3]dioxol-5-yl)cyclopropyl)-4,4-dimethylpentan-3-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22O3
InChI InChI=1S/C17H22O3/c1-10(16(18)17(2,3)4)12-8-13(12)11-5-6-14-15(7-11)20-9-19-14/h5-7,10,12-13H,8-9H2,1-4H3/t10-,12-,13-/m0/s1
InChIKey AXQOOEPMKKOEKH-DRZSPHRISA-N
Literature Reference DOI 10.1002/ajoc.201700541
Molecular Weight 274.360 g/mol
SMILES C(C([C@]([C@]1([C@@](C1)(c1cc2c(cc1)OCO2)[H])[H])(C)[H])=O)(C)(C)C
SPLASH splash10-0a59-5900000000-2a7fafe8bd5c7ac6031f
Source of Spectrum AJO-6-SM5-3h
Synonyms (S)-4-((1R,2R)-2-(benzo[d][1,3]dioxol-5-yl)cyclopropyl)-2,2-dimethylpentan-3-one
Wiley ID 1813047