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OPHIOCERIC_ACID
SpectraBase Compound ID 4Zkynig6ZDc
InChI InChI=1S/C15H20O3/c1-8-10-7-14(2,3)5-9-6-15(9,13(17)18)11(10)4-12(8)16/h9,11H,4-7H2,1-3H3,(H,17,18)/t9-,11+,15-/m0/s1
InChIKey STEFDXGKULBYNU-ISOBSLSZSA-N
Mol Weight 248.32 g/mol
Molecular Formula C15H20O3
Exact Mass 248.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HH2CPjGGnx9
Name Ophioceric acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20O3
InChI InChI=1S/C15H20O3/c1-8-10-7-14(2,3)5-9-6-15(9,13(17)18)11(10)4-12(8)16/h9,11H,4-7H2,1-3H3,(H,17,18)/t9-,11+,15-/m0/s1
InChIKey STEFDXGKULBYNU-ISOBSLSZSA-N
Molecular Weight 248.322 g/mol
SMILES OC([C@]12[C@]3(C(=C(C)C(C3)=O)CC(C[C@@]1([H])C2)(C)C)[H])=O
SPLASH splash10-001i-3190000000-ef8df43daef47d1ce705
Source of Spectrum X2-68-704-5
Synonyms (1aS,7aR,7bS)-3,3,5-trimethyl-6-oxo-1,1a,2,4,7,7a-hexahydrocyclopropa[e]azulene-7b-carboxylic acid (1aS,7aR,7bS)-3,3,5-trimethyl-6-oxidanylidene-1,1a,2,4,7,7a-hexahydrocyclopropa[e]azulene-7b-carboxylic acid
Wiley ID 1609514