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1,3-Benzodioxole, 5-ethynyl-

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1,3-Benzodioxole, 5-ethynyl-
SpectraBase Compound ID 5h9voPn5awu
InChI InChI=1S/C9H6O2/c1-2-7-3-4-8-9(5-7)11-6-10-8/h1,3-5H,6H2
InChIKey XMXCRJLWEKHZAV-UHFFFAOYSA-N
Mol Weight 146.14 g/mol
Molecular Formula C9H6O2
Exact Mass 146.036779 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID X792hXJy4
Name 1,3-Benzodioxole, 5-ethynyl-
CAS Registry Number 57134-53-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H6O2
InChI InChI=1S/C9H6O2/c1-2-7-3-4-8-9(5-7)11-6-10-8/h1,3-5H,6H2
InChIKey XMXCRJLWEKHZAV-UHFFFAOYSA-N
Molecular Weight 146.145 g/mol
SMILES C(#C)c1cc2OCOc2cc1
SPLASH splash10-01p2-9600000000-87054991279ce98096e4
Source of Spectrum J-59-5667-12
Synonyms 5-Ethynyl-1,3-benzodioxole 5-Ethynylbenzo-1,3-dioxole EINECS 260-583-4
Wiley ID 1144323