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5,5-Dimethyl-3-heptyne
SpectraBase Compound ID 4f2zcuYKICq
InChI InChI=1S/C9H16/c1-5-7-8-9(3,4)6-2/h5-6H2,1-4H3
InChIKey YVYHUBIXJLIYRU-UHFFFAOYSA-N
Mol Weight 124.23 g/mol
Molecular Formula C9H16
Exact Mass 124.125201 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KRvYydPFgxH
Name 5,5-Dimethyl-3-heptyne
CAS Registry Number 23097-98-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16
InChI InChI=1S/C9H16/c1-5-7-8-9(3,4)6-2/h5-6H2,1-4H3
InChIKey YVYHUBIXJLIYRU-UHFFFAOYSA-N
Molecular Weight 124.227 g/mol
SMILES C(#CCC)C(CC)(C)C
SPLASH splash10-0002-9200000000-2a5bc89b1276c7e61696
Source of Spectrum C-98-8420-0
Synonyms 5,5-Dimethylhept-3-yne
Wiley ID 1129172