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NJUNBYXOIXQDNH-UHFFFAOYSA-N
SpectraBase Compound ID LQmS8BUFd05
InChI InChI=1S/C21H32O3/c1-5-18(2)11-12-20-13-21(20)10-6-9-19(3,17(23)24-4)15(21)8-7-14(20)16(18)22/h5,14-16,22H,1,6-13H2,2-4H3
InChIKey NJUNBYXOIXQDNH-UHFFFAOYSA-N
Mol Weight 332.5 g/mol
Molecular Formula C21H32O3
Exact Mass 332.235145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EtQdB2f90QY
Name Methyl 7-Ethenyl-perhydro-4a,4b-methylene-8-hydroxy-1,7-dimethyl-1-phenanthrenecarboxylatecarboxylate
Alternate Name(s) methyl 7-hydroxy-4,8-dimethyl-8-vinyldodecahydrocyclopropa[e]phenanthrene-4-carboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C21H32O3
InChI InChI=1S/C21H32O3/c1-5-18(2)11-12-20-13-21(20)10-6-9-19(3,17(23)24-4)15(21)8-7-14(20)16(18)22/h5,14-16,22H,1,6-13H2,2-4H3
InChIKey NJUNBYXOIXQDNH-UHFFFAOYSA-N
Molecular Weight 332.484 g/mol
SMILES OC1C2C3(C4(C(C(C(=O)OC)(C)CCC4)CC2)C3)CCC1(C=C)C
SPLASH splash10-0a4i-0091000000-bc0e1588f0131bbd48f7
Source of Spectrum F-47-9194-20
Wiley ID 1329837