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Capillin
SpectraBase Compound ID 1lpW9egz0cV
InChI InChI=1S/C12H8O/c1-2-3-5-10-12(13)11-8-6-4-7-9-11/h4,6-9H,1H3
InChIKey RAZOKRUZEQERLH-UHFFFAOYSA-N
Mol Weight 168.19 g/mol
Molecular Formula C12H8O
Exact Mass 168.057515 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HRyCJ9fBsfw
Name 2,4-Hexadiyn-1-one, 1-phenyl-
CAS Registry Number 495-74-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H8O
InChI InChI=1S/C12H8O/c1-2-3-5-10-12(13)11-8-6-4-7-9-11/h4,6-9H,1H3
InChIKey RAZOKRUZEQERLH-UHFFFAOYSA-N
Molecular Weight 168.195 g/mol
SMILES C(=O)(C#CC#CC)c1ccccc1
SPLASH splash10-00ko-2900000000-a775239d20c5ade31d52
Source of Spectrum O-3-1068-10
Synonyms 1-Phenyl-2,4-hexadiyn-1-one 1-Phenyl-1-hexa-2,4-diynone 1-Phenylhexa-2,4-diyn-1-one 2,4-Hexadiynophenone Capillin BRN 1865168 NSC 113499
Wiley ID 1165343