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2-{2-[4-(1R,3aR,7aR)-2,3,3a,6,7,7a-Hexahydro-7a-methyl-1-((R)-6-methylheptan-2-yl)-1H-inden-4-yl]-but-3-ynyldisulfanyl}-5-nitropyridine

View entire compound with spectra: 1 MS (GC)

2-{2-[4-(1R,3aR,7aR)-2,3,3a,6,7,7a-Hexahydro-7a-methyl-1-((R)-6-methylheptan-2-yl)-1H-inden-4-yl]-but-3-ynyldisulfanyl}-5-nitropyridine
SpectraBase Compound ID Iml1joMUZtd
InChI InChI=1S/C27H38N2O2S2/c1-20(2)9-7-10-21(3)24-14-15-25-22(12-8-17-27(24,25)4)11-5-6-18-32-33-26-16-13-23(19-28-26)29(30)31/h12-13,16,19-21,24-25H,6-10,14-15,17-18H2,1-4H3/t21-,24-,25+,27-/m1/s1
InChIKey GCHKPJMBTGDBKV-IEZWVHQFSA-N
Mol Weight 486.7 g/mol
Molecular Formula C27H38N2O2S2
Exact Mass 486.237471 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KR40MHbrKAe
Name 2-{2-[4-(1R,3aR,7aR)-2,3,3a,6,7,7a-Hexahydro-7a-methyl-1-((R)-6-methylheptan-2-yl)-1H-inden-4-yl]-but-3-ynyldisulfanyl}-5-nitropyridine
Alternate Name(s) 2-[4-[(1R,3aR,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-1,2,3,3a,6,7-hexahydroinden-4-yl]but-3-ynyldisulfanyl]-5-nitropyridine 2-[4-[(1R,3aR,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-1,2,3,3a,6,7-hexahydroinden-4-yl]but-3-ynyldisulfanyl]-5-nitro-pyridine
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H38N2O2S2
InChI InChI=1S/C27H38N2O2S2/c1-20(2)9-7-10-21(3)24-14-15-25-22(12-8-17-27(24,25)4)11-5-6-18-32-33-26-16-13-23(19-28-26)29(30)31/h12-13,16,19-21,24-25H,6-10,14-15,17-18H2,1-4H3/t21-,24-,25+,27-/m1/s1
InChIKey GCHKPJMBTGDBKV-IEZWVHQFSA-N
Molecular Weight 486.733 g/mol
SMILES [C@@]12(C)CCC=C([C@]2([H])CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])C#CCCSSc1ncc(N(=O)=O)cc1
SPLASH splash10-001i-0009200000-6f9d45fde0e72fab2c01
Source of Spectrum F-68-1816-16e
Wiley ID 1707797