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(+-)-(2R,RS)-2-[(p-Nitrophenylsulfinyl)methyl]chroman
SpectraBase Compound ID CxhIqGei3ba
InChI InChI=1S/C16H15NO4S/c18-17(19)13-6-9-15(10-7-13)22(20)11-14-8-5-12-3-1-2-4-16(12)21-14/h1-4,6-7,9-10,14H,5,8,11H2/t14-,22?/m1/s1
InChIKey QFUWHTSVDOBNDG-HNNQXCQYSA-N
Mol Weight 317.36 g/mol
Molecular Formula C16H15NO4S
Exact Mass 317.072179 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 78s9PWwOJ4H
Name (+-)-(2R,RS)-2-[(p-Nitrophenylsulfinyl)methyl]chroman
Alternate Name(s) (2R)-2-[[(R)-(4-nitrophenyl)sulfinyl]methyl]-3,4-dihydro-2H-1-benzopyran (2R)-2-[[(R)-(4-nitrophenyl)sulfinyl]methyl]chromane (2R)-2-[[(R)-(4-nitrophenyl)sulfinyl]methyl]-3,4-dihydro-2H-chromene
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Formula C16H15NO4S
InChI InChI=1S/C16H15NO4S/c18-17(19)13-6-9-15(10-7-13)22(20)11-14-8-5-12-3-1-2-4-16(12)21-14/h1-4,6-7,9-10,14H,5,8,11H2/t14-,22?/m1/s1
InChIKey QFUWHTSVDOBNDG-HNNQXCQYSA-N
Molecular Weight 317.359 g/mol
SMILES c1(N(=O)=O)ccc([S@@](C[C@@]2(Oc3c(cccc3)CC2)[H])=O)cc1
SPLASH splash10-0002-3901000000-18414190f074c0b51e2e
Source of Spectrum U1-2011-3875-28
Wiley ID 1665635