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3a,4-trans-3a,9a-cis-4-(Nitromethyl)-2,3,3a,9a-tetrahydro-4H-furo[2,3-b]chromene
SpectraBase Compound ID 8nFvZ8r8kqI
InChI InChI=1S/C12H13NO4/c14-13(15)7-10-8-3-1-2-4-11(8)17-12-9(10)5-6-16-12/h1-4,9-10,12H,5-7H2/t9-,10+,12+/m1/s1
InChIKey DXFACLHAKRQVBJ-SCVCMEIPSA-N
Mol Weight 235.24 g/mol
Molecular Formula C12H13NO4
Exact Mass 235.084458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3YQPJNhEO0
Name 3a,4-trans-3a,9a-cis-4-(Nitromethyl)-2,3,3a,9a-tetrahydro-4H-furo[2,3-b]chromene
Alternate Name(s) (3aR,4R,9aS)-4-(nitromethyl)-3,3a,4,9a-tetrahydro-2H-furo[2,3-b][1]benzopyran
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO4
InChI InChI=1S/C12H13NO4/c14-13(15)7-10-8-3-1-2-4-11(8)17-12-9(10)5-6-16-12/h1-4,9-10,12H,5-7H2/t9-,10+,12+/m1/s1
InChIKey DXFACLHAKRQVBJ-SCVCMEIPSA-N
Molecular Weight 235.239 g/mol
SMILES [C@]1(c2c(cccc2)O[C@]2([C@@]1(CCO2)[H])[H])(CN(=O)=O)[H]
SPLASH splash10-08gl-2900000000-5b90b93ff2c8d995c3cb
Source of Spectrum F-67-7243-19
Wiley ID 1570996