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Methanesulfonic acid 4-[(1R,3aR,7aR)-1-((R)-1,5-dimethylhexyl)-7a-methyl-2,3,3a,6,7,7a-hexahydro-1H-inden-4-yl]-but-3-ynyl ester
SpectraBase Compound ID Gisz6zaECxL
InChI InChI=1S/C23H38O3S/c1-18(2)10-8-11-19(3)21-14-15-22-20(13-9-16-23(21,22)4)12-6-7-17-26-27(5,24)25/h13,18-19,21-22H,7-11,14-17H2,1-5H3/t19-,21-,22+,23-/m1/s1
InChIKey FLKNUUNRLMMDJN-XBYSBRQOSA-N
Mol Weight 394.6 g/mol
Molecular Formula C23H38O3S
Exact Mass 394.254166 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lm83376eCLi
Name Methanesulfonic acid 4-[(1R,3aR,7aR)-1-((R)-1,5-dimethylhexyl)-7a-methyl-2,3,3a,6,7,7a-hexahydro-1H-inden-4-yl]-but-3-ynyl ester
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H38O3S
InChI InChI=1S/C23H38O3S/c1-18(2)10-8-11-19(3)21-14-15-22-20(13-9-16-23(21,22)4)12-6-7-17-26-27(5,24)25/h13,18-19,21-22H,7-11,14-17H2,1-5H3/t19-,21-,22+,23-/m1/s1
InChIKey FLKNUUNRLMMDJN-XBYSBRQOSA-N
Molecular Weight 394.614 g/mol
SMILES [C@@]12([C@](C(C#CCCOS(=O)(=O)C)=CCC2)(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C
SPLASH splash10-004i-0009000000-b173efc2f2507575e32a
Source of Spectrum F-68-1815-9
Synonyms methanesulfonic acid 4-[(1R,3aR,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-1,2,3,3a,6,7-hexahydroinden-4-yl]but-3-ynyl ester 4-[(1R,3aR,7aR)-1-[(1R)-1,5-dimethylhexyl]-7a-methyl-1,2,3,3a,6,7-hexahydroinden-4-yl]but-3-ynyl methanesulfonate 4-[(1R,3aR,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-1,2,3,3a,6,7-hexahydroinden-4-yl]but-3-ynyl methanesulfonate
Wiley ID 1715077