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cis-6-(5,6-Dimethyl-1H-benzotriazol-1-yl)tetrahydro-2H-pyran-2-methanol, acetate(ester)
SpectraBase Compound ID 64mfOrS7M0C
InChI InChI=1S/C16H21N3O3/c1-10-7-14-15(8-11(10)2)19(18-17-14)16-6-4-5-13(22-16)9-21-12(3)20/h7-8,13,16H,4-6,9H2,1-3H3/t13-,16+/s2
InChIKey LPJCXEIBPWNAIA-WKTCHCBJSA-N
Mol Weight 303.36 g/mol
Molecular Formula C16H21N3O3
Exact Mass 303.158292 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 3PZw1F8L1m4
Name cis-6-(5,6-Dimethyl-1H-benzotriazol-1-yl)tetrahydro-2H-pyran-2-methanol, acetate(ester)
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 C16H21N3O3
InChI InChI=1S/C16H21N3O3/c1-10-7-14-15(8-11(10)2)19(18-17-14)16-6-4-5-13(22-16)9-21-12(3)20/h7-8,13,16H,4-6,9H2,1-3H3/t13-,16+/s2
InChIKey LPJCXEIBPWNAIA-WKTCHCBJSA-N
Literature Reference JHTC 6, 5(1969)
Melting Point 104-105C
Molecular Weight 303.362000
SMILES c12cc(c(cc2[n](nn1)[C@@]1(O[C@@](CCC1)(COC(=O)C)[H])[H])C)C
Technique KBr WAFER