Systematic / IUPAC Name: 2,3,4-tri-O-Acetyl-1,5-anhydro-1-(1,3-benzothiazol-2-yl)pentitol
ID: Reference3976
Other Names: Pentitol, 1,5-anhydro-1-C-2-benzothiazolyl-, 2,3,4-triacetate
Formula: C18H19NO7S
3,5-bis(Acetyloxy)-2-(1,3-benzothiazol-2-yl)tetrahydro-2H-pyran-4-yl acetate mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Used Instruments | Q Exactive Orbitrap |
No. of Spectral Trees | 1 |
No. of Spectra | 117 |
Tandem Spectra | MS1, MS2 |
Ionization Methods | ESI |
Analyzers | FT |
Last Modification | 2/26/2016 12:05:08 PM |
InChI | InChI=1S/C18H19NO7S/c1-9(20)24-13-8-23-17(16(26-11(3)22)15(13)25-10(2)21)18-19-12-6-4-5-7-14(12)27-18/h4-7,13,15-17H,8H2,1-3H3 |
InChI Key | UKYUZPFZYHYAOI-UHFFFAOYSA-N |
Canonical SMILES | CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)C2=NC3=CC=CC=C3S2 |
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Other Names | Pentitol, 1,5-anhydro-1-C-2-benzothiazolyl-, 2,3,4-triacetate |