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2-[(8R,11Z)-8-Hydroxyheptadec-11-enyl]-5-nitro-1H-benzimidazole
SpectraBase Compound ID BrYCBiYpcQB
InChI InChI=1S/C24H37N3O3/c1-2-3-4-5-6-8-11-14-21(28)15-12-9-7-10-13-16-24-25-22-18-17-20(27(29)30)19-23(22)26-24/h6,8,17-19,21,28H,2-5,7,9-16H2,1H3,(H,25,26)/b8-6-/t21-/m0/s1
InChIKey YJHSJYXTSHRYSR-LHFJYWTJSA-N
Mol Weight 415.6 g/mol
Molecular Formula C24H37N3O3
Exact Mass 415.283492 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FoWA2sV71VE
Name 2-[(8R,11Z)-8-Hydroxyheptadec-11-enyl]-5-nitro-1H-benzimidazole
Alternate Name(s) (Z,8R)-1-(6-nitro-1H-benzimidazol-2-yl)-11-heptadecen-8-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H37N3O3
InChI InChI=1S/C24H37N3O3/c1-2-3-4-5-6-8-11-14-21(28)15-12-9-7-10-13-16-24-25-22-18-17-20(27(29)30)19-23(22)26-24/h6,8,17-19,21,28H,2-5,7,9-16H2,1H3,(H,25,26)/b8-6-/t21-/m0/s1
InChIKey YJHSJYXTSHRYSR-LHFJYWTJSA-N
Molecular Weight 415.578 g/mol
SMILES [nH]1c(CCCCCCC[C@](CC\C=C/CCCCC)(O)[H])nc2c1ccc(c2)N(=O)=O
SPLASH splash10-00kf-0049800000-92885dd516517ced11c5
Source of Spectrum F2-44-1755-4dB
Wiley ID 1716345