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Aldadiene
SpectraBase Compound ID KbvyD6HU2O9
InChI InChI=1S/C22H28O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h3-4,13,16-18H,5-12H2,1-2H3/t16-,17+,18+,20+,21+,22-/m1/s1
InChIKey UJVLDDZCTMKXJK-WNHSNXHDSA-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 KMebGzH9s3d
Name Canrenone
Catalog Number 21307
CAS Registry Number 976-71-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28O3
InChI InChI=1S/C22H28O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h3-4,13,16-18H,5-12H2,1-2H3/t16-,17+,18+,20+,21+,22-/m1/s1
InChIKey UJVLDDZCTMKXJK-WNHSNXHDSA-N
Molecular Weight 340.463 g/mol
SMILES C1C(C=C2[C@](C1)([C@@]1([C@@](C=C2)([C@]2([C@](CC1)([C@]1(CC2)OC(CC1)=O)C)[H])[H])[H])C)=O
SPLASH splash10-014l-4931000000-19d500b35abae1fea048
Source of Spectrum CAY-2023-462-0
Wiley ID 1888427