Musk ketone

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Systematic / IUPAC Name: 1-(4-tert-Butyl-2,6-dimethyl-3,5-dinitrophenyl)ethanone

ID: Reference13682

Other Names: AA-3815

Formula: C14H18N2O5

Class: Endogenous Metabolites

Spectral Data

Musk ketone mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap ID-X with ETD_Cal Gateshead
No. of Spectral Trees 2
No. of Spectra 595
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 12/12/2025 2:22:39 PM
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Identificators

InChI InChI=1S/C14H18N2O5/c1-7-10(9(3)17)8(2)13(16(20)21)11(14(4,5)6)12(7)15(18)19/h1-6H3
InChI Key WXCMHFPAUCOJIG-UHFFFAOYSA-N
Canonical SMILES CC(=O)c1c(C)c([N+](=O)[O-])c(C(C)(C)C)c([N+](=O)[O-])c1C
CAS
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Other Names AA-3815

In Other Databases

ChemSpider More details; 6417
ChEMBL CHEMBL1877463
HMDb HMDB0031865
PubChem 6669