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(R)-2-[(R)-p-Tolylsulfinyl]propyl-3,5-dinitrobenzoate

View entire compound with spectra: 1 MS (GC)

(R)-2-[(R)-p-Tolylsulfinyl]propyl-3,5-dinitrobenzoate
SpectraBase Compound ID B0Bemw0pMds
InChI InChI=1S/C17H16N2O7S/c1-11-3-5-16(6-4-11)27(25)12(2)10-26-17(20)13-7-14(18(21)22)9-15(8-13)19(23)24/h3-9,12H,10H2,1-2H3/t12-,27?/m1/s1
InChIKey BXOVVPPWZSQTIM-ZJGDTTMNSA-N
Mol Weight 392.38 g/mol
Molecular Formula C17H16N2O7S
Exact Mass 392.067822 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LSFG3Cqe6PM
Name (R)-2-[(R)-p-Tolylsulfinyl]propyl-3,5-dinitrobenzoate
Alternate Name(s) (2R)-2-[(4-methylphenyl)sulfinyl]propyl 3,5-dinitrobenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16N2O7S
InChI InChI=1S/C17H16N2O7S/c1-11-3-5-16(6-4-11)27(25)12(2)10-26-17(20)13-7-14(18(21)22)9-15(8-13)19(23)24/h3-9,12H,10H2,1-2H3/t12-,27?/m1/s1
InChIKey BXOVVPPWZSQTIM-ZJGDTTMNSA-N
Molecular Weight 392.382 g/mol
SMILES c1(N(=O)=O)cc(N(=O)=O)cc(c1)C(OC[C@]([S@](c1ccc(cc1)C)=O)(C)[H])=O
SPLASH splash10-0002-0930000000-cb575213dcb4aa6e7bcf
Source of Spectrum SO-0-1177-16
Wiley ID 1543683