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(S)-(+)-2-Methylpentyl p-nitrophenylsulfonate
SpectraBase Compound ID I5t2opqHSS3
InChI InChI=1S/C12H17NO5S/c1-3-4-10(2)9-18-19(16,17)12-7-5-11(6-8-12)13(14)15/h5-8,10H,3-4,9H2,1-2H3/t10-/m0/s1
InChIKey QCXNPRSJQJNUON-JTQLQIEISA-N
Mol Weight 287.33 g/mol
Molecular Formula C12H17NO5S
Exact Mass 287.082744 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Abd2RhG38id
Name (S)-(+)-2-Methylpentyl p-nitrophenylsulfonate
Alternate Name(s) 4-Nitrobenzenesulfonic acid[(2S)-2-methylpentyl]ester [(2S)-2-methylpentyl]4-nitrobenzenesulfonate [(2S)-2-methylpentyl] 4-nitrobenzenesulfonate
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Formula C12H17NO5S
InChI InChI=1S/C12H17NO5S/c1-3-4-10(2)9-18-19(16,17)12-7-5-11(6-8-12)13(14)15/h5-8,10H,3-4,9H2,1-2H3/t10-/m0/s1
InChIKey QCXNPRSJQJNUON-JTQLQIEISA-N
Molecular Weight 287.330 g/mol
SMILES c1(S(OC[C@](CCC)(C)[H])(=O)=O)ccc(N(=O)=O)cc1
SPLASH splash10-05ai-9100000000-c378178d737ecc78f578
Source of Spectrum C3-24-974-7
Wiley ID 879737