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(1RS,2SR,4SR,8RS,11SR)-10,10-Dimethyl-7-[(p-tosyloxy)methyl]tetracyclo[6.3.0.0(2,11).0(4,8)]undecane-3-one
SpectraBase Compound ID 7mAqZhBSt4o
InChI InChI=1S/C21H26O4S/c1-12-4-7-14(8-5-12)26(23,24)25-10-13-6-9-15-19(22)16-17-18(16)21(13,15)11-20(17,2)3/h4-5,7-8,13,15-18H,6,9-11H2,1-3H3/t13?,15-,16?,17?,18+,21-/m0/s1
InChIKey AACPDKTXUYTBFN-QJGPIKOOSA-N
Mol Weight 374.5 g/mol
Molecular Formula C21H26O4S
Exact Mass 374.15518 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dz4129VpOID
Name (1RS,2SR,4SR,8RS,11SR)-10,10-Dimethyl-7-[(p-tosyloxy)methyl]tetracyclo[6.3.0.0(2,11).0(4,8)]undecane-3-one
Comments Less than 3 mono-isotopic peaks
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Formula C21H26O4S
InChI InChI=1S/C21H26O4S/c1-12-4-7-14(8-5-12)26(23,24)25-10-13-6-9-15-19(22)16-17-18(16)21(13,15)11-20(17,2)3/h4-5,7-8,13,15-18H,6,9-11H2,1-3H3/t13?,15-,16?,17?,18+,21-/m0/s1
InChIKey AACPDKTXUYTBFN-QJGPIKOOSA-N
Molecular Weight 374.495 g/mol
SMILES [C@]12(C3C(=O)[C@]4([C@]2(CC(C13)(C)C)C(COS(c1ccc(cc1)C)(=O)=O)CC4)[H])[H]
SPLASH splash10-0a4i-9000000000-25aca9dff92def990267
Source of Spectrum E1-38-1128-27
Synonyms [(3aR,6R,6aS,6bS)-2,2-dimethyl-3-oxodecahydrocyclopenta[g]cyclopropa[cd]pentalen-6-yl]methyl 4-methylbenzenesulfonate
Wiley ID 1518333