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2-(Benzothiazol-2'-yl)-3-phenylpent-4-en-2-ol
SpectraBase Compound ID 42bkM1lRKGy
InChI InChI=1S/C18H17NOS/c1-3-14(13-9-5-4-6-10-13)18(2,20)17-19-15-11-7-8-12-16(15)21-17/h3-12,14,20H,1H2,2H3/t14?,18-/m0/s1
InChIKey DECMIPXLOQXWRM-IBYPIGCZSA-N
Mol Weight 295.4 g/mol
Molecular Formula C18H17NOS
Exact Mass 295.103085 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L7Ikxwzy5Ho
Name 2-(Benzothiazol-2'-yl)-3-phenylpent-4-en-2-ol
Comments Removed - expert review: contamination (DOP)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17NOS
InChI InChI=1S/C18H17NOS/c1-3-14(13-9-5-4-6-10-13)18(2,20)17-19-15-11-7-8-12-16(15)21-17/h3-12,14,20H,1H2,2H3/t14?,18-/m0/s1
InChIKey DECMIPXLOQXWRM-IBYPIGCZSA-N
Molecular Weight 295.400 g/mol
SMILES O[C@](c1nc2ccccc2s1)(C(C=C)c1ccccc1)C
SPLASH splash10-0002-0910000000-a364d9cbfa869263e1d1
Source of Spectrum K1-2002-483-6
Synonyms (S)-2-Benzothiazol-2-yl-3-phenyl-pent-4-en-2-ol 2-(1,3-benzothiazol-2-yl)-3-phenyl-4-penten-2-ol 2-(Benzothiazol-2-yl)-3-phenylpent-4-en-2-ol
Wiley ID 1522077