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trans-3,4,5-Trimethoxy-B-methyl-B-nitro-styrene
SpectraBase Compound ID 6tMbXzb9K8r
InChI InChI=1S/C12H15NO5/c1-8(13(14)15)5-9-6-10(16-2)12(18-4)11(7-9)17-3/h5-7H,1-4H3/b8-5+
InChIKey TUTKQLIXDCWWJG-VMPITWQZSA-N
Mol Weight 253.25 g/mol
Molecular Formula C12H15NO5
Exact Mass 253.095023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 69zzfmCMdCW
Name 1,2,3-Trimethoxy-5-[(1E)-2-nitro-1-propenyl]benzene
CAS Registry Number 5556-76-3
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15NO5
InChI InChI=1S/C12H15NO5/c1-8(13(14)15)5-9-6-10(16-2)12(18-4)11(7-9)17-3/h5-7H,1-4H3/b8-5+
InChIKey TUTKQLIXDCWWJG-VMPITWQZSA-N
Molecular Weight 253.254 g/mol
SMILES c1c(cc(c(c1OC)OC)OC)\C=C/(C)N(=O)=O
SPLASH splash10-0udl-3950000000-9b626dfd360ef5b1d270
Source of Spectrum JZ-1992-4373-0
Synonyms 1,2,3-Trimethoxy-5-(2-nitropropenyl)benzene 1,2,3-trimethoxy-5-[(E)-2-nitroprop-1-enyl]benzene Benzene, 1,2,3-trimethoxy-5-(2-nitropropenyl)- trans-3,4,5-Trimethoxy-.beta.-methyl-.beta.-nitrostyrene
Wiley ID 1256648