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Benzene, 2-iodo-1,3,5-trimethyl-4-(2-propynyl)-
SpectraBase Compound ID LDaTvhQzUBa
InChI InChI=1S/C12H13I/c1-5-6-11-8(2)7-9(3)12(13)10(11)4/h1,7H,6H2,2-4H3
InChIKey YBZBWUCAGJOTKD-UHFFFAOYSA-N
Mol Weight 284.14 g/mol
Molecular Formula C12H13I
Exact Mass 284.006195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9qV8bsrIAHw
Name Benzene, 2-iodo-1,3,5-trimethyl-4-(2-propynyl)-
CAS Registry Number 131251-57-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13I
InChI InChI=1S/C12H13I/c1-5-6-11-8(2)7-9(3)12(13)10(11)4/h1,7H,6H2,2-4H3
InChIKey YBZBWUCAGJOTKD-UHFFFAOYSA-N
Molecular Weight 284.140 g/mol
SMILES c1(c(c(C)cc(c1CC#C)C)I)C
SPLASH splash10-001i-0590000000-1cec4d6710728bf6c2d6
Source of Spectrum C-113-1323-11
Synonyms 1-[2,4,6-trimethyl-3-iodophenyl]-2-propyne 2-iodo-1,3,5-trimethyl-4-(2-propynyl)benzene 2-iodo-1,3,5-trimethyl-4-prop-2-ynylbenzene 2-iodo-1,3,5-trimethyl-4-prop-2-ynyl-benzene 2-iodanyl-1,3,5-trimethyl-4-prop-2-ynyl-benzene
Wiley ID 1287433