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2-Nitro-4-[2-hydroxyhexafluoroisopropyl]toluene

View entire compound with spectra: 1 FTIR

2-Nitro-4-[2-hydroxyhexafluoroisopropyl]toluene
SpectraBase Compound ID EvtvO6e8zku
InChI InChI=1S/C10H7F6NO3/c1-5-2-3-6(4-7(5)17(19)20)8(18,9(11,12)13)10(14,15)16/h2-4,18H,1H3
InChIKey PHJWSOLLGMQAAF-UHFFFAOYSA-N
Mol Weight 303.16 g/mol
Molecular Formula C10H7F6NO3
Exact Mass 303.033012 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID F8CpeJ1MeXT
Name 2-Nitro-4-[2-hydroxyhexafluoroisopropyl]toluene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 303.033012064 u
Formula C10H7F6NO3
InChI InChI=1S/C10H7F6NO3/c1-5-2-3-6(4-7(5)17(19)20)8(18,9(11,12)13)10(14,15)16/h2-4,18H,1H3
InChIKey PHJWSOLLGMQAAF-UHFFFAOYSA-N
Molecular Weight 303.160 g/mol
SMILES C(F)(F)(F)C(C(F)(F)F)(O)C1=CC=C(C(N(=O)=O)=C1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.912031