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15- (2,4,10-trioxa Adamant-3-yl) -pentadeca-3,5,11,13,15-tetraene-7,9-diyne-2-one
SpectraBase Compound ID JA43zdEyZAM
InChI InChI=1S/C22H22O4/c1-18(23)13-11-9-7-5-3-2-4-6-8-10-12-14-22-24-19-15-20(25-22)17-21(16-19)26-22/h6-13,19-21H,14-17H2,1H3/b8-6?,9-7?,12-10-,13-11?/t19-,20+,21-,22+
InChIKey MVLHOJQZOHVTGE-NIIGUXBWSA-N
Mol Weight 350.41 g/mol
Molecular Formula C22H22O4
Exact Mass 350.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8xlAMrXhJy4
Name 15- (2,4,10-trioxa Adamant-3-yl) -pentadeca-3,5,11,13,15-tetraene-7,9-diyne-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22O4
InChI InChI=1S/C22H22O4/c1-18(23)13-11-9-7-5-3-2-4-6-8-10-12-14-22-24-19-15-20(25-22)17-21(16-19)26-22/h6-13,19-21H,14-17H2,1H3/b8-6?,9-7?,12-10-,13-11?/t19-,20+,21-,22+
InChIKey MVLHOJQZOHVTGE-NIIGUXBWSA-N
Literature Reference DOI 10.1002/prac.19943360806
Molecular Weight 350.414 g/mol
SMILES C(C=CC=CC#CC#CC=C\C=C/CC12O[C@]3(C[C@@](O2)(C[C@@](O1)(C3)[H])[H])[H])(=O)C
SPLASH splash10-0006-9200000000-0fc96a3d7a007740f327
Source of Spectrum JF-336-675-38
Synonyms (13Z)-15-((1s,5s,7s)-2,4,10-trioxaadamantan-3-yl)pentadeca-3,5,11,13-tetraen-7,9-diyn-2-one
Wiley ID 1789915