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4-Amorphen-12-tosylate

View entire compound with spectra: 1 MS (GC)

4-Amorphen-12-tosylate
SpectraBase Compound ID 25nlgl3eDzz
InChI InChI=1S/C22H32O3S/c1-15-5-9-19(10-6-15)26(23,24)25-14-18(4)21-12-8-17(3)20-11-7-16(2)13-22(20)21/h5-6,9-10,13,17-18,20-22H,7-8,11-12,14H2,1-4H3/t17-,18+,20+,21+,22+/m1/s1
InChIKey NZTBXTUNZQWCHK-NQOGSSOHSA-N
Mol Weight 376.6 g/mol
Molecular Formula C22H32O3S
Exact Mass 376.207216 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Vku9P2wEhP
Name 4-Amorphen-12-tosylate
Alternate Name(s) (2S)-2-[(1R,4R,4aS,8aS)-4,7-dimethyl-1,2,3,4,4a,5,6,8a-octahydro-1-naphthalenyl]propyl 4-methylbenzenesulfonate Propyl 4-methylbenzenesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H32O3S
InChI InChI=1S/C22H32O3S/c1-15-5-9-19(10-6-15)26(23,24)25-14-18(4)21-12-8-17(3)20-11-7-16(2)13-22(20)21/h5-6,9-10,13,17-18,20-22H,7-8,11-12,14H2,1-4H3/t17-,18+,20+,21+,22+/m1/s1
InChIKey NZTBXTUNZQWCHK-NQOGSSOHSA-N
Molecular Weight 376.555 g/mol
SMILES C(OS(c1ccc(cc1)C)(=O)=O)[C@@]([C@]1([C@@]2([C@](CCC(=C2)C)([H])[C@@](CC1)(C)[H])[H])[H])(C)[H]
SPLASH splash10-03di-0920000000-1ebc78ca305a5305f739
Source of Spectrum F-55-15135-15
Wiley ID 840342