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2-[(4-(iodoacetyl)-3-acetoxybutyl]-2,6-dimethyl-7-(1,5-dimethylhexyl)hexahydroindane[4,5-c]tetrahydrofuran-12-one
SpectraBase Compound ID KrxTyT4X3u3
InChI InChI=1S/C29H47IO5/c1-18(2)8-7-9-19(3)23-10-11-24-26-25(13-14-28(23,24)5)29(6,35-27(26)33)15-12-22(34-20(4)31)16-21(32)17-30/h18-19,22-26H,7-17H2,1-6H3/t19?,22?,23?,24?,25?,26?,28-,29+/m1/s1
InChIKey PVBNJZLGQMRUOK-MPIAFZGXSA-N
Mol Weight 602.6 g/mol
Molecular Formula C29H47IO5
Exact Mass 602.24682 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BI65YOj8tun
Name 2-[(4-(iodoacetyl)-3-acetoxybutyl]-2,6-dimethyl-7-(1,5-dimethylhexyl)hexahydroindane[4,5-c]tetrahydrofuran-12-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H47IO5
InChI InChI=1S/C29H47IO5/c1-18(2)8-7-9-19(3)23-10-11-24-26-25(13-14-28(23,24)5)29(6,35-27(26)33)15-12-22(34-20(4)31)16-21(32)17-30/h18-19,22-26H,7-17H2,1-6H3/t19?,22?,23?,24?,25?,26?,28-,29+/m1/s1
InChIKey PVBNJZLGQMRUOK-MPIAFZGXSA-N
Molecular Weight 602.594 g/mol
SMILES [C@@]12(C(C3C(O[C@](C3CC2)(CCC(OC(=O)C)CC(=O)CI)C)=O)CCC1C(CCCC(C)C)C)C
SPLASH splash10-0gb9-0079000000-c9d0dc7bb8f2d22f3d65
Source of Spectrum J-62-2980-25
Wiley ID 1410583