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2-[(8R,11Z)-8-Hydroxyheptadec-11-enyl]-5-chloro-1H-benzimidazole
SpectraBase Compound ID VPNzKh8HcL
InChI InChI=1S/C24H37ClN2O/c1-2-3-4-5-6-8-11-14-21(28)15-12-9-7-10-13-16-24-26-22-18-17-20(25)19-23(22)27-24/h6,8,17-19,21,28H,2-5,7,9-16H2,1H3,(H,26,27)/b8-6-/t21-/m0/s1
InChIKey SYMSDQQDJHLEON-LHFJYWTJSA-N
Mol Weight 405.0 g/mol
Molecular Formula C24H37ClN2O
Exact Mass 404.259442 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AvpgFwoWMCD
Name 2-[(8R,11Z)-8-Hydroxyheptadec-11-enyl]-5-chloro-1H-benzimidazole
Alternate Name(s) (Z,8R)-1-(6-chloro-1H-benzimidazol-2-yl)-11-heptadecen-8-ol (Z,8R)-1-(6-chloranyl-1H-benzimidazol-2-yl)heptadec-11-en-8-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H37ClN2O
InChI InChI=1S/C24H37ClN2O/c1-2-3-4-5-6-8-11-14-21(28)15-12-9-7-10-13-16-24-26-22-18-17-20(25)19-23(22)27-24/h6,8,17-19,21,28H,2-5,7,9-16H2,1H3,(H,26,27)/b8-6-/t21-/m0/s1
InChIKey SYMSDQQDJHLEON-LHFJYWTJSA-N
Molecular Weight 405.026 g/mol
SMILES [nH]1c(CCCCCCC[C@](CC\C=C/CCCCC)(O)[H])nc2c1ccc(c2)Cl
SPLASH splash10-0fb9-0452900000-81505edaca27d1e00cfd
Source of Spectrum F2-44-1756-4dC
Wiley ID 1716341