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2-(azepan-1-yl)-1-(benzo[d][1,3]dioxol-5-yl)hexan-1-one
SpectraBase Compound ID AWi87eZku0y
InChI InChI=1S/C19H27NO3/c1-2-3-8-16(20-11-6-4-5-7-12-20)19(21)15-9-10-17-18(13-15)23-14-22-17/h9-10,13,16H,2-8,11-12,14H2,1H3
InChIKey STBVLACGBLKXMD-UHFFFAOYSA-N
Mol Weight 317.43 g/mol
Molecular Formula C19H27NO3
Exact Mass 317.199094 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CnFYYrx0CxN
Name 2-(azepan-1-yl)-1-(benzo[d][1,3]dioxol-5-yl)hexan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H27NO3
InChI InChI=1S/C19H27NO3/c1-2-3-8-16(20-11-6-4-5-7-12-20)19(21)15-9-10-17-18(13-15)23-14-22-17/h9-10,13,16H,2-8,11-12,14H2,1H3
InChIKey STBVLACGBLKXMD-UHFFFAOYSA-N
Molecular Weight 317.429 g/mol
SMILES c12c(ccc(c2)C(C(N2CCCCCC2)CCCC)=O)OCO1
SPLASH splash10-014i-2900000000-bd4b334f1331848fbebc
Source of Spectrum Professor Randall Clark, Department: Drug Discovery and Development, Auburn University, Harrison School of Pharmacy, 3306 Walker Building, Auburn, AL 36849
Wiley ID 1815944