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1-tert-Butyl-3,5-dimethyl-2,4,6-trinitrobenzene
SpectraBase Compound ID J2hlYSR42si
InChI InChI=1S/C12H15N3O6/c1-6-9(13(16)17)7(2)11(15(20)21)8(12(3,4)5)10(6)14(18)19/h1-5H3
InChIKey XMWRWTSZNLOZFN-UHFFFAOYSA-N
Mol Weight 297.27 g/mol
Molecular Formula C12H15N3O6
Exact Mass 297.096085 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8u35EdDFxwV
Name Musk xylol
CAS Registry Number 81-15-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15N3O6
GC Column J&W DB-5 (30 m x 0.25 mm ID x 0.25 ??m film thickness)
GC Oven Program 60 ??C to 246 ??C at 3 ??C/min.
InChI InChI=1S/C12H15N3O6/c1-6-9(13(16)17)7(2)11(15(20)21)8(12(3,4)5)10(6)14(18)19/h1-5H3
InChIKey XMWRWTSZNLOZFN-UHFFFAOYSA-N
Molecular Weight 297.267 g/mol
SMILES CC(C)(C)c1c(N(=O)=O)c(C)c(N(=O)=O)c(c1N(=O)=O)C
SPLASH splash10-000x-9630000000-49b1497ff258e78d7c21
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID 1886733