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cis-6-(5,6-Dichloro-1H-benzotriazol-1-yl)tetrahydro-2H-pyran-2-methanol
SpectraBase Compound ID 7b4ku1EGvgG
InChI InChI=1S/C12H13Cl2N3O2/c13-8-4-10-11(5-9(8)14)17(16-15-10)12-3-1-2-7(6-18)19-12/h4-5,7,12,18H,1-3,6H2/t7-,12+/s2
InChIKey CECSXBSTUPFWRW-WYVADAIZSA-N
Mol Weight 302.16 g/mol
Molecular Formula C12H13Cl2N3O2
Exact Mass 301.038482 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID VemCUQaoNO
Name cis-6-(5,6-Dichloro-1H-benzotriazol-1-yl)tetrahydro-2H-pyran-2-methanol
Source of Sample G. GARCIA-MUNOZ, "JUAN DE LA CIERVA", MADRID, SPAIN
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13Cl2N3O2
InChI InChI=1S/C12H13Cl2N3O2/c13-8-4-10-11(5-9(8)14)17(16-15-10)12-3-1-2-7(6-18)19-12/h4-5,7,12,18H,1-3,6H2/t7-,12+/s2
InChIKey CECSXBSTUPFWRW-WYVADAIZSA-N
Literature Reference JHTC 6, 5(1969)
Melting Point 158-159C
Molecular Weight 302.161000
SMILES OC[C@@]1(CCC[C@@](O1)([n]1c2cc(c(cc2nn1)Cl)Cl)[H])[H]
Technique KBr WAFER