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methyl (1R,4R,5R,7R,9R,10R,13R,14R)-7-hydroxy-9,14-dimethyltetracyclo[11.2.1.0(1,10).0(4,9)]hexadecane-5-carboxylate
SpectraBase Compound ID LMqcOcNIwYT
InChI InChI=1S/C20H32O3/c1-12-9-20-7-6-16-15(18(22)23-3)8-14(21)11-19(16,2)17(20)5-4-13(12)10-20/h12-17,21H,4-11H2,1-3H3/t12-,13-,14-,15-,16-,17+,19-,20-/m1/s1
InChIKey PZFKMMIDJYJAHH-IJYHREFJSA-N
Mol Weight 320.5 g/mol
Molecular Formula C20H32O3
Exact Mass 320.235145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9BfwfcBOqWM
Name methyl (1R,4R,5R,7R,9R,10R,13R,14R)-7-hydroxy-9,14-dimethyltetracyclo[11.2.1.0(1,10).0(4,9)]hexadecane-5-carboxylate
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Formula C20H32O3
InChI InChI=1S/C20H32O3/c1-12-9-20-7-6-16-15(18(22)23-3)8-14(21)11-19(16,2)17(20)5-4-13(12)10-20/h12-17,21H,4-11H2,1-3H3/t12-,13-,14-,15-,16-,17+,19-,20-/m1/s1
InChIKey PZFKMMIDJYJAHH-IJYHREFJSA-N
Instrument Name JEOL JMS-01-SG-2
Ionization Type EI
Literature Reference DOI 10.1002/rcm.1290060506
Molecular Weight 320.473 g/mol
SMILES O[C@]1(C[C@@]2([C@@]([C@@](C1)(C(=O)OC)[H])(CC[C@@]13[C@]2(CC[C@](C3)([C@@](C1)(C)[H])[H])[H])[H])C)[H]
SPLASH splash10-0a4l-5953000000-929cc186bea5dcd0b054
Source of Spectrum RCM-6-342-11
Wiley ID 1835554