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1-Phenyl-1-hexyne
SpectraBase Compound ID LHhdLAczCOy
InChI InChI=1S/C12H14/c1-2-3-4-6-9-12-10-7-5-8-11-12/h5,7-8,10-11H,2-4H2,1H3
InChIKey VBRLZTLFLNZEPZ-UHFFFAOYSA-N
Mol Weight 158.24 g/mol
Molecular Formula C12H14
Exact Mass 158.10955 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2w29V02ZzJc
Name 1-Hexyne, 1-phenyl-
CAS Registry Number 1129-65-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14
InChI InChI=1S/C12H14/c1-2-3-4-6-9-12-10-7-5-8-11-12/h5,7-8,10-11H,2-4H2,1H3
InChIKey VBRLZTLFLNZEPZ-UHFFFAOYSA-N
Molecular Weight 158.244 g/mol
SMILES C(#CCCCC)c1ccccc1
SPLASH splash10-016r-2900000000-8ef886c2c8676e882e1c
Source of Spectrum SD-1981-0-0
Synonyms 1-Phenylhex-1-yne 1-(Hex-1'-yn-1'-yl)-benzene Benzene, 1-hexynyl- 1-Hexynylbenzene 1-Butyl-2-phenylacetylene 1-Phenyl-1-hexyne Butylphenylacetylene Hex-1-ynylbenzene
Wiley ID 1155893