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2H-1-benzopyran-6-ol, 3,4-dihydro-2,2,4-trimethyl-5-nitro-7-(1,1,3,3-tetramethylbutyl)-
SpectraBase Compound ID 2bUUon9P659
InChI InChI=1S/C20H31NO4/c1-12-10-20(7,8)25-14-9-13(19(5,6)11-18(2,3)4)17(22)16(15(12)14)21(23)24/h9,12,22H,10-11H2,1-8H3
InChIKey PHJMZHCDGGMWFX-UHFFFAOYSA-N
Mol Weight 349.47 g/mol
Molecular Formula C20H31NO4
Exact Mass 349.225308 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CN0TaAOGF3k
Name 2H-1-benzopyran-6-ol, 3,4-dihydro-2,2,4-trimethyl-5-nitro-7-(1,1,3,3-tetramethylbutyl)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H31NO4
InChI InChI=1S/C20H31NO4/c1-12-10-20(7,8)25-14-9-13(19(5,6)11-18(2,3)4)17(22)16(15(12)14)21(23)24/h9,12,22H,10-11H2,1-8H3
InChIKey PHJMZHCDGGMWFX-UHFFFAOYSA-N
Molecular Weight 349.471 g/mol
SMILES Oc1c(cc2OC(CC(C)c2c1[N+]([O-])=O)(C)C)C(C)(C)CC(C)(C)C
SPLASH splash10-0f97-9483000000-172bf32d57fb1b0b61ea
Source of Spectrum JX-2015-3-1045
Synonyms 2,2,4-trimethyl-5-nitro-7-(2,4,4-trimethylpentan-2-yl)chroman-6-ol 2,2,4-trimethyl-5-nitro-7-(2,4,4-trimethylpentan-2-yl)-3,4-dihydro-2H-chromen-6-ol 2,2,4-trimethyl-5-nitro-7-(2,4,4-trimethylpentan-2-yl)-3,4-dihydro-2H-1-benzopyran-6-ol 2,2,4-trimethyl-5-nitro-7-(2,4,4-trimethylpentan-2-yl)-3,4-dihydrochromen-6-ol
Wiley ID 1724563