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Butanoic acid, 2-nitro-4-(phenylthio)-, 2,4,6-tris(1,1-dimethylethyl)phenyl ester
SpectraBase Compound ID 7ImR4OFXbzL
InChI InChI=1S/C28H39NO4S/c1-26(2,3)19-17-21(27(4,5)6)24(22(18-19)28(7,8)9)33-25(30)23(29(31)32)15-16-34-20-13-11-10-12-14-20/h10-14,17-18,23H,15-16H2,1-9H3
InChIKey TZVOMCGXVLECCW-UHFFFAOYSA-N
Mol Weight 485.7 g/mol
Molecular Formula C28H39NO4S
Exact Mass 485.25998 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4fl8V2yoHZ8
Name BUTANOIC ACID, 2-NITRO-4-(PHENYLTHIO)-, 2,4,6-TRIS(1,1-DIMETHYLETHYL)PHENYL ESTER
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Formula C28H39NO4S
InChI InChI=1S/C28H39NO4S/c1-26(2,3)19-17-21(27(4,5)6)24(22(18-19)28(7,8)9)33-25(30)23(29(31)32)15-16-34-20-13-11-10-12-14-20/h10-14,17-18,23H,15-16H2,1-9H3
InChIKey TZVOMCGXVLECCW-UHFFFAOYSA-N
Molecular Weight 485.2590
SMILES c1ccccc1SCCC(C(Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C)=O)N(=O)=O
SPLASH splash10-00di-2390000000-cf599953c551d6ece44a
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