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(exo)-9,10-Epithio-1.beta.-[(diethylamino)acetoxy]-4.beta.-methoxy-(octahydro)anthracene
SpectraBase Compound ID AnHpi5bdB9n
InChI InChI=1S/C21H29NO3S/c1-4-22(5-2)12-17(23)25-16-11-10-15(24-3)18-19(16)21-14-9-7-6-8-13(14)20(18)26-21/h6-9,15-16,18-21H,4-5,10-12H2,1-3H3/t15?,16?,18?,19?,20-,21+/m0/s1
InChIKey JAEWWJSEFJCVMK-AKYPRQFMSA-N
Mol Weight 375.53 g/mol
Molecular Formula C21H29NO3S
Exact Mass 375.186815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IXY3gzom7Y1
Name (exo)-9,10-Epithio-1.beta.-[(diethylamino)acetoxy]-4.beta.-methoxy-(octahydro)anthracene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H29NO3S
InChI InChI=1S/C21H29NO3S/c1-4-22(5-2)12-17(23)25-16-11-10-15(24-3)18-19(16)21-14-9-7-6-8-13(14)20(18)26-21/h6-9,15-16,18-21H,4-5,10-12H2,1-3H3/t15?,16?,18?,19?,20-,21+/m0/s1
InChIKey JAEWWJSEFJCVMK-AKYPRQFMSA-N
Molecular Weight 375.527 g/mol
SMILES C12[C@@]3(S[C@](C2C(OC)CCC1OC(=O)CN(CC)CC)(c1ccccc31)[H])[H]
SPLASH splash10-000i-9400000000-57b83e21f552f4234854
Source of Spectrum D8-324-436-9
Wiley ID 1514093