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(1RS,2SR,3SR,4SR,7SR,8RS,11SR)-10,10-Dimethyl-7-[(p-tosyloxy)methyl]tetracyclo[6.3.0.0(2,11).0(4,8)]undecane-3-ol
SpectraBase Compound ID 68BUE5rLV0L
InChI InChI=1S/C21H28O4S/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/h4-5,7-8,13,15-19,22H,6,9-11H2,1-3H3/t13-,15+,16?,17?,18-,19+,21+/m1/s1
InChIKey ODIDYZUMRQEGLY-CNSGWUPLSA-N
Mol Weight 376.51 g/mol
Molecular Formula C21H28O4S
Exact Mass 376.170831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CfEVYOyVvl5
Name (1RS,2SR,3SR,4SR,7SR,8RS,11SR)-10,10-Dimethyl-7-[(p-tosyloxy)methyl]tetracyclo[6.3.0.0(2,11).0(4,8)]undecane-3-ol
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28O4S
InChI InChI=1S/C21H28O4S/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/h4-5,7-8,13,15-19,22H,6,9-11H2,1-3H3/t13-,15+,16?,17?,18-,19+,21+/m1/s1
InChIKey ODIDYZUMRQEGLY-CNSGWUPLSA-N
Molecular Weight 376.511 g/mol
SMILES O[C@@]1(C2[C@@]3(C2C(C)(C)C[C@]32[C@]1(CC[C@@]2(COS(c1ccc(cc1)C)(=O)=O)[H])[H])[H])[H]
SPLASH splash10-000i-0900000000-e9465f00091b94e93c19
Source of Spectrum E1-38-1127-18
Wiley ID 1518341