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4H-Cyclobuta[de]naphthalen-4-one, 1-[(benzoyloxy)methyl]decahydro-2,5-dimethyl-1-(4-methylpentyl)-
SpectraBase Compound ID FAtgoCWaErb
InChI InChI=1S/C27H38O3/c1-17(2)9-8-14-27(16-30-26(29)20-10-6-5-7-11-20)21-13-12-18(3)23-22(28)15-19(4)25(27)24(21)23/h5-7,10-11,17-19,21,23-25H,8-9,12-16H2,1-4H3
InChIKey RIJMJBKKTLJJGA-UHFFFAOYSA-N
Mol Weight 410.6 g/mol
Molecular Formula C27H38O3
Exact Mass 410.282095 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CqtTSh9chh9
Name 4H-Cyclobuta[de]naphthalen-4-one, 1-[(benzoyloxy)methyl]decahydro-2,5-dimethyl-1-(4-methylpentyl)-
CAS Registry Number 57743-82-5
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H38O3
InChI InChI=1S/C27H38O3/c1-17(2)9-8-14-27(16-30-26(29)20-10-6-5-7-11-20)21-13-12-18(3)23-22(28)15-19(4)25(27)24(21)23/h5-7,10-11,17-19,21,23-25H,8-9,12-16H2,1-4H3
InChIKey RIJMJBKKTLJJGA-UHFFFAOYSA-N
Molecular Weight 410.598 g/mol
SMILES C1(C2C(CC(C3C2C1CCC3C)=O)C)(COC(=O)c1ccccc1)CCCC(C)C
SPLASH splash10-0dk9-0900000000-558b8b9f4d41753c8691
Source of Spectrum F-36-3259-0
Synonyms 18-Benzoyloxy-13-oxo-decipiane [2,5-dimethyl-1-(4-methylpentyl)-4-oxodecahydro-1H-cyclobuta[de]naphthalen-1-yl]methyl benzoate
Wiley ID 1373827