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cis-(+/-)-1-(tert-butoxycarbonyl)spirobrassinol methyl ether
SpectraBase Compound ID AJRCIBNNWw6
InChI InChI=1S/C17H22N2O3S2/c1-16(2,3)22-15(20)19-12-9-7-6-8-11(12)17(13(19)21-4)10-18-14(23-5)24-17/h6-9,13H,10H2,1-5H3/t13-,17-/m0/s1
InChIKey ZNXNWQZXZILWTH-GUYCJALGSA-N
Mol Weight 366.49 g/mol
Molecular Formula C17H22N2O3S2
Exact Mass 366.107185 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7BUKDTrr26H
Name cis-(+/-)-1-(tert-butoxycarbonyl)spirobrassinol methyl ether
Alternate Name(s) (2S,3R)-tert-butyl 2-methoxy-2'-(methylthio)-4'H-spiro[indoline-3,5'-thiazole]-1-carboxylate (2S,3R)-2-methoxy-2'-(methylthio)-1-spiro[2H-indole-3,5'-4H-thiazole]carboxylic acid tert-butyl ester tert-Butyl (2S,3R)-2-methoxy-2'-methylsulfanylspiro[2H-indole-3,5'-4H-1,3-thiazole]-1-carboxylate tert-Butyl (2'S,5R)-2'-methoxy-2-methylsulfanyl-spiro[4H-thiazole-5,3'-indoline]-1'-carboxylate tert-Butyl (2S,3R)-2-methoxy-2'-methylsulfanyl-spiro[2H-indole-3,5'-4H-1,3-thiazole]-1-carboxylate
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Formula C17H22N2O3S2
InChI InChI=1S/C17H22N2O3S2/c1-16(2,3)22-15(20)19-12-9-7-6-8-11(12)17(13(19)21-4)10-18-14(23-5)24-17/h6-9,13H,10H2,1-5H3/t13-,17-/m0/s1
InChIKey ZNXNWQZXZILWTH-GUYCJALGSA-N
Literature Reference DOI 10.1039/c3ra46843g
Molecular Weight 366.494 g/mol
SMILES [C@@]12([C@@](N(c3ccccc23)C(OC(C)(C)C)=O)(OC)[H])CN=C(SC)S1
SPLASH splash10-0a4i-9433000000-38be789f0626a5c7de88
Source of Spectrum RSA-4-5580-(+/_)20b
Wiley ID 1747902