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4-METHYL-2,6,7-TRIOXA-1-PHOSPHABICYCLO[2.2.2] OCTANE-1-SULFIDE
SpectraBase Compound ID LKbqv1Wtmkz
InChI InChI=1S/C5H9O3PS/c1-5-2-6-9(10,7-3-5)8-4-5/h2-4H2,1H3
InChIKey OKSHJMXSMVSYAW-UHFFFAOYSA-N
Mol Weight 180.16 g/mol
Molecular Formula C5H9O3PS
Exact Mass 180.001002 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gvix12KGbEo
Name 1,3-Propanediol, 2-(hydroxymethyl)-2-methyl, cyclic phosphorothioate (1:1)
CAS Registry Number 3196-56-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H9O3PS
InChI InChI=1S/C5H9O3PS/c1-5-2-6-9(10,7-3-5)8-4-5/h2-4H2,1H3
InChIKey OKSHJMXSMVSYAW-UHFFFAOYSA-N
Molecular Weight 180.158 g/mol
SMILES C1OP2(OCC1(CO2)C)=S
SPLASH splash10-0569-9400000000-f14d2b451bdc50823ee6
Synonyms 1,3-Propanediol, 2-(hydroxymethyl)-2-methyl-, cyclic O,O,O-ester with phosphorothioic acid 2-(Hydroxymethyl)-2-methyl-1,3-propanediol, cyclic phosphorothioate (1:1) 4-Methyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane 1-sulphide 4-Methyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane-1-sulfide Phosphorothioic acid, cyclic O,O,O-ester with 2-(hydroxymethyl)-2-methyl-1,3-propanediol 4-Methyl-1-sulfanylidene-2,6,7-trioxa-1$l^{5}-phosphabicyclo[2.2.2]octane BRN 1909771
Wiley ID 1471010