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1-Methylhexylamine, sulfate (2:1)

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 Raman

1-Methylhexylamine, sulfate (2:1)
SpectraBase Compound ID 5gQfLi9TDYG
InChI InChI=1S/2C7H17N.H2O4S/c2*1-3-4-5-6-7(2)8;1-5(2,3)4/h2*7H,3-6,8H2,1-2H3;(H2,1,2,3,4)
InChIKey XKUUMWKWUZRRPD-UHFFFAOYSA-N
Mol Weight 328.51 g/mol
Molecular Formula C14H36N2O4S
Exact Mass 328.239579 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID GS6raW1sLmh
Name 1-Methylhexylamine, sulfate (2:1)
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 328.239578817 u
Formula C14H36N2O4S
InChI InChI=1S/2C7H17N.H2O4S/c2*1-3-4-5-6-7(2)8;1-5(2,3)4/h2*7H,3-6,8H2,1-2H3;(H2,1,2,3,4)
InChIKey XKUUMWKWUZRRPD-UHFFFAOYSA-N
Molecular Weight 328.512 g/mol
Nominal Mass 328 u
SMILES OS(=O)(=O)O.NC(CCCCC)C.NC(CCCCC)C
Spectrum/Structure Validation Score (Raman) 0.982811