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(E)-5-acetoxy-8-azido-3-(phenylthio)-1,3-octadiene
SpectraBase Compound ID 9KRQCegOoe0
InChI InChI=1S/C16H19N3O2S/c1-3-15(22-16-9-5-4-6-10-16)12-14(21-13(2)20)8-7-11-18-19-17/h3-6,9-10,12,14H,1,7-8,11H2,2H3/b15-12+
InChIKey LCLPSBPSZCXVJL-NTCAYCPXSA-N
Mol Weight 317.41 g/mol
Molecular Formula C16H19N3O2S
Exact Mass 317.119798 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2p0S7Ah56fj
Name (E)-5-acetoxy-8-azido-3-(phenylthio)-1,3-octadiene
Alternate Name(s) (2E)-1-(3-azidopropyl)-3-(phenylsulfanyl)-2,4-pentadienyl acetate
CAS Registry Number 123289-46-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19N3O2S
InChI InChI=1S/C16H19N3O2S/c1-3-15(22-16-9-5-4-6-10-16)12-14(21-13(2)20)8-7-11-18-19-17/h3-6,9-10,12,14H,1,7-8,11H2,2H3/b15-12+
InChIKey LCLPSBPSZCXVJL-NTCAYCPXSA-N
Molecular Weight 317.407 g/mol
SMILES C(N=[N+]=[N-])CCC(\C=C/(Sc1ccccc1)C=C)OC(=O)C
SPLASH splash10-0006-9410000000-2578b7ac37b3b346aed7
Source of Spectrum J-54-5819-9
Wiley ID 1317620