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2-Propenoyl chloride, 3-(2,5,6,6-tetramethyl-2-cyclohexen-1-yl)-, [1.alpha.(E),5.alpha.]-(.+-.)-
SpectraBase Compound ID AbTJn0DILl5
InChI InChI=1S/C13H19ClO/c1-9-5-6-10(2)13(3,4)11(9)7-8-12(14)15/h5,7-8,10-11H,6H2,1-4H3/b8-7+/t10-,11+/m1/s1
InChIKey YAULKPPUXMDKRD-SFEFJYQLSA-N
Mol Weight 226.75 g/mol
Molecular Formula C13H19ClO
Exact Mass 226.112443 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID bD9PsyYW6
Name 2-Propenoyl chloride, 3-(2,5,6,6-tetramethyl-2-cyclohexen-1-yl)-, [1.alpha.(E),5.alpha.]-(.+-.)-
Alternate Name(s) (+-)-(E)-3-[cis-2,5,6,6-tetramethylcyclohex-2-en-1-yl]prop-2-enoyl chloride (2E)-3-[(1S,5R)-2,5,6,6-tetramethyl-2-cyclohexen-1-yl]-2-propenoyl chloride
CAS Registry Number 124886-80-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H19ClO
InChI InChI=1S/C13H19ClO/c1-9-5-6-10(2)13(3,4)11(9)7-8-12(14)15/h5,7-8,10-11H,6H2,1-4H3/b8-7+/t10-,11+/m1/s1
InChIKey YAULKPPUXMDKRD-SFEFJYQLSA-N
Molecular Weight 226.747 g/mol
SMILES [C@@]1(C([C@](C)(CC=C1C)[H])(C)C)(\C=C\C(=O)Cl)[H]
SPLASH splash10-05fu-9400000000-be45b54e6bd38cfdae1e
Source of Spectrum H-72-1413-28
Wiley ID 1227524