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Methanol, 1-[2-[4-(1-methylethyl)phenyl]-4-nitro-1,3-dioxan-5-yl]-
SpectraBase Compound ID AkHnCki29fR
InChI InChI=1S/C14H19NO5/c1-9(2)10-3-5-11(6-4-10)14-19-8-12(7-16)13(20-14)15(17)18/h3-6,9,12-14,16H,7-8H2,1-2H3
InChIKey YTXYRGZSHXVQQF-UHFFFAOYSA-N
Mol Weight 281.31 g/mol
Molecular Formula C14H19NO5
Exact Mass 281.126323 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ExXM0Y907Xr
Name Methanol, 1-[2-[4-(1-methylethyl)phenyl]-4-nitro-1,3-dioxan-5-yl]-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H19NO5
InChI InChI=1S/C14H19NO5/c1-9(2)10-3-5-11(6-4-10)14-19-8-12(7-16)13(20-14)15(17)18/h3-6,9,12-14,16H,7-8H2,1-2H3
InChIKey YTXYRGZSHXVQQF-UHFFFAOYSA-N
Molecular Weight 281.308 g/mol
SMILES OCC1C(OC(OC1)c1ccc(cc1)C(C)C)N(=O)=O
SPLASH splash10-0532-4920000000-eb963854fa69bc47fbdc
Source of Spectrum AD-0-2532-0
Synonyms (4-nitro-2-p-cumenyl-1,3-dioxan-5-yl)methanol [2-(4-Isopropylphenyl)-4-nitro-1,3-dioxan-5-yl]methanol [4-nitro-2-(4-propan-2-ylphenyl)-1,3-dioxan-5-yl]methanol
Wiley ID 1433015