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1,3-Dioxolane-4-methanol, 2-phenyl-, 3,5-dinitrobenzoate, (2S-trans)-
SpectraBase Compound ID 46aTqmxEi72
InChI InChI=1S/C17H14N2O8/c20-16(12-6-13(18(21)22)8-14(7-12)19(23)24)25-9-15-10-26-17(27-15)11-4-2-1-3-5-11/h1-8,15,17H,9-10H2/t15-,17-/m0/s1
InChIKey PUJWOOQYWIJQTH-RDJZCZTQSA-N
Mol Weight 374.31 g/mol
Molecular Formula C17H14N2O8
Exact Mass 374.075015 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A1Y1HmbN7MS
Name 1,3-Dioxolane-4-methanol, 2-phenyl-, 3,5-dinitrobenzoate, (2S-trans)-
CAS Registry Number 61695-48-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H14N2O8
InChI InChI=1S/C17H14N2O8/c20-16(12-6-13(18(21)22)8-14(7-12)19(23)24)25-9-15-10-26-17(27-15)11-4-2-1-3-5-11/h1-8,15,17H,9-10H2/t15-,17-/m0/s1
InChIKey PUJWOOQYWIJQTH-RDJZCZTQSA-N
Molecular Weight 374.305 g/mol
SMILES c1(N(=O)=O)cc(N(=O)=O)cc(c1)C(OC[C@@]1(O[C@@](c2ccccc2)(OC1)[H])[H])=O
SPLASH splash10-0a4j-3901000000-cdba71ba2ce43f62efe4
Source of Spectrum B-29-1765-0
Synonyms [(2S,4R)-2-phenyl-1,3-dioxolan-4-yl]methyl 3',5'-dinitrobenzoate [(2S,4R)-2-phenyl-1,3-dioxolan-4-yl]methyl 3,5-dinitrobenzoate
Wiley ID 1356416