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4-ISOPROPYL-2,6,7-TRIOXA-1-PHOSPHABICYCLO [2.2.2] OCTANE-1-SULFIDE
SpectraBase Compound ID H1RXQv1JURS
InChI InChI=1S/C7H13O3PS/c1-6(2)7-3-8-11(12,9-4-7)10-5-7/h6H,3-5H2,1-2H3
InChIKey FVYOWJAKNCNKPR-UHFFFAOYSA-N
Mol Weight 208.21 g/mol
Molecular Formula C7H13O3PS
Exact Mass 208.032302 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JVMYEiBbSBm
Name 1,3-Propanediol, 2-(hydroxymethyl)-2-isopropyl-, cyclic phosphorothioate (1:1)
CAS Registry Number 51486-56-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H13O3PS
InChI InChI=1S/C7H13O3PS/c1-6(2)7-3-8-11(12,9-4-7)10-5-7/h6H,3-5H2,1-2H3
InChIKey FVYOWJAKNCNKPR-UHFFFAOYSA-N
Molecular Weight 208.212 g/mol
SMILES C1OP2(OCC1(CO2)C(C)C)=S
SPLASH splash10-0a5c-9010000000-9b51602c5f4c7296eb17
Source of Spectrum O-15-521-2
Synonyms 2-(Hydroxymethyl)-2-isopropyl-1,3-propanediol, cyclic phosphorothioate (1:1) 4-Isopropyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane 1-sulphide 4-Isopropyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane-1-sulfide Phosphorothioic acid, cyclic O,O,O-ester with 2-(hydroxymethyl)-2-isopropyl-1,3-propanediol 4-Propan-2-yl-1-sulfanylidene-2,6,7-trioxa-1$l^{5}-phosphabicyclo[2.2.2]octane BRN 5509911
Wiley ID 1206186