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2,2-Dimethyl-6-(heptynyl)-8-hydroxy-3-oxatricyclo[8.4.0.0(4,9)]tetradec-4(9),5,7-trien-12-one
SpectraBase Compound ID C3LJgg3cuyJ
InChI InChI=1S/C22H28O3/c1-4-5-6-7-8-9-15-12-19(24)21-17-14-16(23)10-11-18(17)22(2,3)25-20(21)13-15/h12-13,17-18,24H,4-7,10-11,14H2,1-3H3
InChIKey ZXSFHDBCRSUSCJ-UHFFFAOYSA-N
Mol Weight 340.46 g/mol
Molecular Formula C22H28O3
Exact Mass 340.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4SkPPARkYa
Name 2,2-Dimethyl-6-(heptynyl)-8-hydroxy-3-oxatricyclo[8.4.0.0(4,9)]tetradec-4(9),5,7-trien-12-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28O3
InChI InChI=1S/C22H28O3/c1-4-5-6-7-8-9-15-12-19(24)21-17-14-16(23)10-11-18(17)22(2,3)25-20(21)13-15/h12-13,17-18,24H,4-7,10-11,14H2,1-3H3
InChIKey ZXSFHDBCRSUSCJ-UHFFFAOYSA-N
Molecular Weight 340.463 g/mol
SMILES Oc1cc(cc2OC(C3C(c12)CC(CC3)=O)(C)C)C#CCCCCC
SPLASH splash10-052f-0169000000-c2e08529904c114bced5
Source of Spectrum E1-39-3794-12
Synonyms 3-(1-heptynyl)-1-hydroxy-6,6-dimethyl-6,6a,7,8,10,10a-hexahydro-9H-benzo[c]chromen-9-one
Wiley ID 1598971