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Phosphorothioic acid, O-(1,3,3a,4,7,7a-hexahydro-1,3-dioxo-5-isobenzofuranyl) O,O-dipropyl ester, cis-
SpectraBase Compound ID BPC35aQvBho
InChI InChI=1S/C14H21O6PS/c1-3-7-17-21(22,18-8-4-2)20-10-5-6-11-12(9-10)14(16)19-13(11)15/h5,11-12H,3-4,6-9H2,1-2H3/t11-,12+/m1/s1
InChIKey ZYCCKFYOMCEZAC-NEPJUHHUSA-N
Mol Weight 348.35 g/mol
Molecular Formula C14H21O6PS
Exact Mass 348.079647 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CL9KubARwrs
Name Phosphorothioic acid, O-(1,3,3a,4,7,7a-hexahydro-1,3-dioxo-5-isobenzofuranyl) O,O-dipropyl ester, cis-
CAS Registry Number 113947-68-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H21O6PS
InChI InChI=1S/C14H21O6PS/c1-3-7-17-21(22,18-8-4-2)20-10-5-6-11-12(9-10)14(16)19-13(11)15/h5,11-12H,3-4,6-9H2,1-2H3/t11-,12+/m1/s1
InChIKey ZYCCKFYOMCEZAC-NEPJUHHUSA-N
Molecular Weight 348.350 g/mol
SMILES C1(OC([C@@]2(CC=C(C[C@]12[H])OP(=S)(OCCC)OCCC)[H])=O)=O
SPLASH splash10-0006-0910000000-14d831439a6f04745a6d
Source of Spectrum J-53-2297-9
Synonyms Di-n-propyl cis-1,3,3a,4,7,7a-hexahydro-1,3-dioxo-5-isobenzofuranyl thiophosphate O-[(3aS,7aR)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2-benzofuran-5-yl]O,O-dipropyl thiophosphate
Wiley ID 1340323