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Cyclohexanecarboxylic acid, 3-(iodomethyl)-, 1,1-dimethylethyl ester
SpectraBase Compound ID 6yRNvrGpEjD
InChI InChI=1S/C12H21IO2/c1-12(2,3)15-11(14)10-6-4-5-9(7-10)8-13/h9-10H,4-8H2,1-3H3
InChIKey YVQVYLVWAFLXIF-UHFFFAOYSA-N
Mol Weight 324.2 g/mol
Molecular Formula C12H21IO2
Exact Mass 324.058625 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4BGq3sfIKQq
Name Cyclohexanecarboxylic acid, 3-(iodomethyl)-, 1,1-dimethylethyl ester
CAS Registry Number 122699-80-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H21IO2
InChI InChI=1S/C12H21IO2/c1-12(2,3)15-11(14)10-6-4-5-9(7-10)8-13/h9-10H,4-8H2,1-3H3
InChIKey YVQVYLVWAFLXIF-UHFFFAOYSA-N
Molecular Weight 324.202 g/mol
SMILES C(OC(C)(C)C)(C1CC(CI)CCC1)=O
SPLASH splash10-0007-6920000000-9f11800b5d991894037d
Source of Spectrum J-54-4950-25
Synonyms tert-Butyl 3-(iodomethyl)cyclohexanecarboxylate
Wiley ID 1322831