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(3S,7R)-3-cyclohexyl-7-(iodanylmethyl)oxepan-2-one
SpectraBase Compound ID 6xwvVHoVZZH
InChI InChI=1S/C13H21IO2/c14-9-11-7-4-8-12(13(15)16-11)10-5-2-1-3-6-10/h10-12H,1-9H2/t11-,12+/m1/s1
InChIKey MRLQVTGHWVWFNU-NEPJUHHUSA-N
Mol Weight 336.21 g/mol
Molecular Formula C13H21IO2
Exact Mass 336.058625 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hdw1YpYrH4l
Name (3S,7R)-3-cyclohexyl-7-(iodanylmethyl)oxepan-2-one
Alternate Name(s) (3S,7R)-3-cyclohexyl-7-(iodomethyl)-2-oxepanone (3S,7R)-3-cyclohexyl-7-(iodomethyl)oxepan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H21IO2
InChI InChI=1S/C13H21IO2/c14-9-11-7-4-8-12(13(15)16-11)10-5-2-1-3-6-10/h10-12H,1-9H2/t11-,12+/m1/s1
InChIKey MRLQVTGHWVWFNU-NEPJUHHUSA-N
Molecular Weight 336.213 g/mol
SMILES C1(O[C@@](CI)(CCC[C@]1(C1CCCCC1)[H])[H])=O
SPLASH splash10-053r-9110000000-c1534a80591c5308c83a
Source of Spectrum J-59-5916-5
Wiley ID 1332037