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Benzoic acid 7-acetoxymethyl-4,4-dimethyl-2,3,4,4a,5,6-hexahydro-naphthalen-2-yl ester
SpectraBase Compound ID 8eArgjwiror
InChI InChI=1S/C22H26O4/c1-15(23)25-14-16-9-10-20-18(11-16)12-19(13-22(20,2)3)26-21(24)17-7-5-4-6-8-17/h4-8,11-12,19-20H,9-10,13-14H2,1-3H3
InChIKey RLOICILYQGJHFN-UHFFFAOYSA-N
Mol Weight 354.45 g/mol
Molecular Formula C22H26O4
Exact Mass 354.183109 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4TW7JgeWQaW
Name Benzoic acid 7-acetoxymethyl-4,4-dimethyl-2,3,4,4a,5,6-hexahydro-naphthalen-2-yl ester
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Formula C22H26O4
InChI InChI=1S/C22H26O4/c1-15(23)25-14-16-9-10-20-18(11-16)12-19(13-22(20,2)3)26-21(24)17-7-5-4-6-8-17/h4-8,11-12,19-20H,9-10,13-14H2,1-3H3
InChIKey RLOICILYQGJHFN-UHFFFAOYSA-N
Molecular Weight 354.446 g/mol
SMILES C1=2C(C(CC(C2)OC(=O)c2ccccc2)(C)C)CCC(=C1)COC(=O)C
SPLASH splash10-0ac3-0960000000-f7bea7cc8941204ff277
Source of Spectrum F-65-4148-3d
Synonyms Neosarmentdiol III 7-acetate 3-benzoate
Wiley ID 1680628