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1,3-Benzenediol, 5-(1,1-dimethylheptyl)-2-iodo-
SpectraBase Compound ID 1VibutEUFWm
InChI InChI=1S/C15H23IO2/c1-4-5-6-7-8-15(2,3)11-9-12(17)14(16)13(18)10-11/h9-10,17-18H,4-8H2,1-3H3
InChIKey HFBAKLZANBZOEE-UHFFFAOYSA-N
Mol Weight 362.25 g/mol
Molecular Formula C15H23IO2
Exact Mass 362.074275 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID lmIGIdXb89
Name 1,3-Benzenediol, 5-(1,1-dimethylheptyl)-2-iodo-
CAS Registry Number 112639-13-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H23IO2
InChI InChI=1S/C15H23IO2/c1-4-5-6-7-8-15(2,3)11-9-12(17)14(16)13(18)10-11/h9-10,17-18H,4-8H2,1-3H3
InChIKey HFBAKLZANBZOEE-UHFFFAOYSA-N
Molecular Weight 362.251 g/mol
SMILES Oc1c(c(cc(c1)C(CCCCCC)(C)C)O)I
SPLASH splash10-00di-0192000000-c6aa3bf5f28b61d1bc51
Source of Spectrum KC-1987-1426-33
Synonyms 5-(1,1-Dimethylheptyl)-1,3-dihydroxy-2-iodobenzene 5-(1,1-dimethylheptyl)-2-iodo-1,3-benzenediol
Wiley ID 1349315