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4-(5,5-Dimethyl-6-oxocyclohex-1-enyl)-3-iodomethylbutyric acid, methyl ester
SpectraBase Compound ID AYhsuFUIuEc
InChI InChI=1S/C14H21IO3/c1-14(2)6-4-5-11(13(14)17)7-10(9-15)8-12(16)18-3/h5,10H,4,6-9H2,1-3H3
InChIKey NKTZVTLYLOPSSM-UHFFFAOYSA-N
Mol Weight 364.22 g/mol
Molecular Formula C14H21IO3
Exact Mass 364.05354 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DCbwW8xlccx
Name 4-(5,5-DIMETHYL-6-OXOCYCLOHEX-1-ENYL)-3-IODOMETHYL-BUTYRIC ACID, METHYL ESTER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C14H21IO3
InChI InChI=1S/C14H21IO3/c1-14(2)6-4-5-11(13(14)17)7-10(9-15)8-12(16)18-3/h5,10H,4,6-9H2,1-3H3
InChIKey NKTZVTLYLOPSSM-UHFFFAOYSA-N
Molecular Weight 364.0489
SMILES C1C(C)(C)C(=O)C(CC(CI)CC(OC)=O)=CC1
SPLASH splash10-004u-9730000000-0caaaa9242ea13f9e2a7
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany