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4a,5-trans-4a,10a-cis-5-(Nitromethyl)-3,4,4a,10a-tetrahydro-2H,5H-pyrano[2,3-b]chromene
SpectraBase Compound ID 6YJ1ZtaRF3Y
InChI InChI=1S/C13H15NO4/c15-14(16)8-11-9-4-1-2-6-12(9)18-13-10(11)5-3-7-17-13/h1-2,4,6,10-11,13H,3,5,7-8H2/t10-,11-,13+/m1/s1
InChIKey CALNLDHBMBOLDX-WZRBSPASSA-N
Mol Weight 249.27 g/mol
Molecular Formula C13H15NO4
Exact Mass 249.100108 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BHMLfl3yQ05
Name 4a,5-trans-4a,10a-cis-5-(Nitromethyl)-3,4,4a,10a-tetrahydro-2H,5H-pyrano[2,3-b]chromene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15NO4
InChI InChI=1S/C13H15NO4/c15-14(16)8-11-9-4-1-2-6-12(9)18-13-10(11)5-3-7-17-13/h1-2,4,6,10-11,13H,3,5,7-8H2/t10-,11-,13+/m1/s1
InChIKey CALNLDHBMBOLDX-WZRBSPASSA-N
Molecular Weight 249.266 g/mol
SMILES [C@@]1(c2c(cccc2)O[C@]2([C@@]1(CCCO2)[H])[H])(CN(=O)=O)[H]
SPLASH splash10-05gm-1910000000-17b6cba5c20698a4cd76
Source of Spectrum F-67-7243-21
Wiley ID 1570991