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(E,2S,3R,4S,8S)-9-(1,3-benzothiazol-2-ylsulfanyl)-3-methoxy-4,6,8-trimethyl-non-5-en-2-ol
SpectraBase Compound ID 9UuwlI3PUEl
InChI InChI=1S/C20H29NO2S2/c1-13(11-15(3)19(23-5)16(4)22)10-14(2)12-24-20-21-17-8-6-7-9-18(17)25-20/h6-9,11,14-16,19,22H,10,12H2,1-5H3/b13-11+/t14-,15-,16-,19+/m0/s1
InChIKey QCQYNONQDCVJAG-YUAVYZMJSA-N
Mol Weight 379.58 g/mol
Molecular Formula C20H29NO2S2
Exact Mass 379.163972 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DSER4IRWXDB
Name (E,2S,3R,4S,8S)-9-(1,3-benzothiazol-2-ylsulfanyl)-3-methoxy-4,6,8-trimethyl-non-5-en-2-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H29NO2S2
InChI InChI=1S/C20H29NO2S2/c1-13(11-15(3)19(23-5)16(4)22)10-14(2)12-24-20-21-17-8-6-7-9-18(17)25-20/h6-9,11,14-16,19,22H,10,12H2,1-5H3/b13-11+/t14-,15-,16-,19+/m0/s1
InChIKey QCQYNONQDCVJAG-YUAVYZMJSA-N
Molecular Weight 379.577 g/mol
SMILES O[C@]([C@@]([C@](\C=C\(C[C@@](CSc1nc2ccccc2s1)(C)[H])C)(C)[H])(OC)[H])(C)[H]
SPLASH splash10-00yi-4920000000-14c302d1e0abce7c64e2
Source of Spectrum KC-0-966-32
Synonyms (E,2S,3R,4S,8S)-9-(1,3-benzothiazol-2-ylthio)-3-methoxy-4,6,8-trimethyl-5-nonen-2-ol (E,2S,3R,4S,8S)-9-(1,3-benzothiazol-2-ylthio)-3-methoxy-4,6,8-trimethyl-non-5-en-2-ol
Wiley ID 827799