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1,3-Di(but-3-ynyl)-2-methoxy-5-methylbenzene
SpectraBase Compound ID 5lZq56qiG7D
InChI InChI=1S/C16H18O/c1-5-7-9-14-11-13(3)12-15(10-8-6-2)16(14)17-4/h1-2,11-12H,7-10H2,3-4H3
InChIKey KUHVNZNTPQRYMB-UHFFFAOYSA-N
Mol Weight 226.32 g/mol
Molecular Formula C16H18O
Exact Mass 226.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F8BX444eRIu
Name 1,3-Di(but-3-ynyl)-2-methoxy-5-methylbenzene
Alternate Name(s) 1,3-Di(but-3-yn-1-yl)-2-methoxy-5-methylbenzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18O
InChI InChI=1S/C16H18O/c1-5-7-9-14-11-13(3)12-15(10-8-6-2)16(14)17-4/h1-2,11-12H,7-10H2,3-4H3
InChIKey KUHVNZNTPQRYMB-UHFFFAOYSA-N
Literature Reference DOI 10.1002/anie.201206785
Molecular Weight 226.319 g/mol
SMILES c1(c(c(cc(C)c1)CCC#C)OC)CCC#C
SPLASH splash10-002r-1920000000-17740971c507b6e95181
Source of Spectrum ACI-52-SM5-1a
Wiley ID 1780892