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(R*,R*)-3-(phenylnitromethyl)-1(3H)-isobenzofuranone
SpectraBase Compound ID COE859mBalY
InChI InChI=1S/C15H11NO4/c17-15-12-9-5-4-8-11(12)14(20-15)13(16(18)19)10-6-2-1-3-7-10/h1-9,13-14H/t13-,14-/m1/s1
InChIKey YSAMBUIBOXYNDI-ZIAGYGMSSA-N
Mol Weight 269.26 g/mol
Molecular Formula C15H11NO4
Exact Mass 269.068808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GW0Mu8mTjIC
Name (R*,R*)-3-(phenylnitromethyl)-1(3H)-isobenzofuranone
CAS Registry Number 115912-84-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H11NO4
InChI InChI=1S/C15H11NO4/c17-15-12-9-5-4-8-11(12)14(20-15)13(16(18)19)10-6-2-1-3-7-10/h1-9,13-14H/t13-,14-/m1/s1
InChIKey YSAMBUIBOXYNDI-ZIAGYGMSSA-N
Molecular Weight 269.256 g/mol
SMILES [C@@]1(OC(=O)c2c1cccc2)([C@](N(=O)=O)(c1ccccc1)[H])[H]
SPLASH splash10-001i-0920000000-beafa87e2f1b01bf66ff
Source of Spectrum J-53-4679-29
Synonyms (3R)-3-[(R)-nitro(phenyl)methyl]-2-benzofuran-1(3H)-one
Wiley ID 1273190