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Phosphonothioic acid, phenyl-, S-2-butenyl O-ethyl ester, (E)-
SpectraBase Compound ID 1mKkbFDqQgc
InChI InChI=1S/C12H17O2PS/c1-3-5-11-16-15(13,14-4-2)12-9-7-6-8-10-12/h3,5-10H,4,11H2,1-2H3/b5-3+
InChIKey MXVAVYAEUMQGKC-HWKANZROSA-N
Mol Weight 256.3 g/mol
Molecular Formula C12H17O2PS
Exact Mass 256.068688 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4ZFI7ETC3Vb
Name Phosphonothioic acid, phenyl-, S-2-butenyl O-ethyl ester, (E)-
Alternate Name(s) S-trans-crotyl ethyl phenylphosphonothiolate S-[(2E)-2-butenyl]O-ethyl phenylphosphonothioate
CAS Registry Number 85115-22-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17O2PS
InChI InChI=1S/C12H17O2PS/c1-3-5-11-16-15(13,14-4-2)12-9-7-6-8-10-12/h3,5-10H,4,11H2,1-2H3/b5-3+
InChIKey MXVAVYAEUMQGKC-HWKANZROSA-N
Molecular Weight 256.300 g/mol
SMILES c1(P(=O)(SC\C=C\C)OCC)ccccc1
SPLASH splash10-0006-0960000000-4a7e5d18fa842ba2a4ef
Source of Spectrum J-48-1297-0
Wiley ID 1259440