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Iso-butyl (5-(phenylthio)pent-1-en-3-yl) carbonate
SpectraBase Compound ID 5JpVRUAHZAk
InChI InChI=1S/C16H22O3S/c1-4-14(19-16(17)18-12-13(2)3)10-11-20-15-8-6-5-7-9-15/h4-9,13-14H,1,10-12H2,2-3H3
InChIKey LGXZBBLZIWJGPL-UHFFFAOYSA-N
Mol Weight 294.41 g/mol
Molecular Formula C16H22O3S
Exact Mass 294.128966 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B41tAJelAPY
Name Iso-butyl (5-(phenylthio)pent-1-en-3-yl) carbonate
Alternate Name(s) isobutyl (5-(phenylthio)pent-1-en-3-yl) carbonate
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Formula C16H22O3S
InChI InChI=1S/C16H22O3S/c1-4-14(19-16(17)18-12-13(2)3)10-11-20-15-8-6-5-7-9-15/h4-9,13-14H,1,10-12H2,2-3H3
InChIKey LGXZBBLZIWJGPL-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cctc.201100465
Molecular Weight 294.409 g/mol
SMILES C(OC(C=C)CCSc1ccccc1)(=O)OCC(C)C
SPLASH splash10-02fx-4920000000-0b8461ab81a26cc54c00
Source of Spectrum CCC-4-329/SM5-5_1
Wiley ID 1788904