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Heptacene-5,7,9,14,16,18-hexone
SpectraBase Compound ID HRfDbS1HRMU
InChI InChI=1S/C30H12O6/c31-25-13-5-1-2-6-14(13)26(32)18-10-22-21(9-17(18)25)29(35)23-11-19-20(12-24(23)30(22)36)28(34)16-8-4-3-7-15(16)27(19)33/h1-12H
InChIKey OKSFQIAVWNOZDB-UHFFFAOYSA-N
Mol Weight 468.42 g/mol
Molecular Formula C30H12O6
Exact Mass 468.063388 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GTt23b9Kc4S
Name Heptacene-5,7,9,14,16,18-hexone
CAS Registry Number 104157-35-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H12O6
InChI InChI=1S/C30H12O6/c31-25-13-5-1-2-6-14(13)26(32)18-10-22-21(9-17(18)25)29(35)23-11-19-20(12-24(23)30(22)36)28(34)16-8-4-3-7-15(16)27(19)33/h1-12H
InChIKey OKSFQIAVWNOZDB-UHFFFAOYSA-N
Molecular Weight 468.420 g/mol
SMILES c12c(C(=O)c3c(C2=O)cc2c(C(=O)c4c(C2=O)cccc4)c3)cc2c(c1)C(c1c(cccc1)C2=O)=O
SPLASH splash10-014l-0001900000-18ed2d613737aecb07d6
Source of Spectrum J-51-4168-26
Synonyms 5,7,9,14,16,18-Heptacenehexone
Wiley ID 1392483