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4-[N-(t-Butoxycarbonyl)amino]-4-[1'-(propylsulfonyl)propyl]-2,5-cyclohexadien-1-one
SpectraBase Compound ID KCEWz9TcQF6
InChI InChI=1S/C17H27NO5S/c1-6-12-24(21,22)14(7-2)17(10-8-13(19)9-11-17)18-15(20)23-16(3,4)5/h8-11,14H,6-7,12H2,1-5H3,(H,18,20)
InChIKey NGXXZTUNUVODHC-UHFFFAOYSA-N
Mol Weight 357.47 g/mol
Molecular Formula C17H27NO5S
Exact Mass 357.160994 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HwJ3WsQd82q
Name 4-[N-(t-Butoxycarbonyl)amino]-4-[1'-(propylsulfonyl)propyl]-2,5-cyclohexadien-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H27NO5S
InChI InChI=1S/C17H27NO5S/c1-6-12-24(21,22)14(7-2)17(10-8-13(19)9-11-17)18-15(20)23-16(3,4)5/h8-11,14H,6-7,12H2,1-5H3,(H,18,20)
InChIKey NGXXZTUNUVODHC-UHFFFAOYSA-N
Molecular Weight 357.465 g/mol
SMILES N(C(OC(C)(C)C)=O)C1(C(S(=O)(=O)CCC)CC)C=CC(C=C1)=O
SPLASH splash10-0a4i-9710000000-873f8ee0c8713987adda
Source of Spectrum QE-14-633-59
Wiley ID 1713693