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4,8-Dimethyl-3-phenyl-1H-isochromen-1-one
SpectraBase Compound ID 7q0wC6es82a
InChI InChI=1S/C17H14O2/c1-11-7-6-10-14-12(2)16(19-17(18)15(11)14)13-8-4-3-5-9-13/h3-10H,1-2H3
InChIKey BXMKCMPXCBSBGY-UHFFFAOYSA-N
Mol Weight 250.3 g/mol
Molecular Formula C17H14O2
Exact Mass 250.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1AVClWOIPC5
Name 4,8-Dimethyl-3-phenyl-1H-isochromen-1-one
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 250.099379689 u
Formula C17H14O2
InChI InChI=1S/C17H14O2/c1-11-7-6-10-14-12(2)16(19-17(18)15(11)14)13-8-4-3-5-9-13/h3-10H,1-2H3
InChIKey BXMKCMPXCBSBGY-UHFFFAOYSA-N
Instrument Name Jeol AccuTOF
Ionization Type EI
Literature Reference DOI 10.1002/anie.201802748
Molecular Weight 250.297 g/mol
Quality 121
Reported Formula C17H14O2
SMILES C1=C(C2=C(C=C1)C(=C(OC2=O)C1=CC=CC=C1)C)C
SPLASH splash10-0uk9-0190000000-b53908fbfb1f05fbb229
Source of Spectrum ACI-57-SM15-3ah (DOI: 10.1002/anie.201802748)
Wiley ID 1890941