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1-benzyl-5-imino-4-octyl-2-tetrazoline, tartrate(1:2)(salt)

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1-benzyl-5-imino-4-octyl-2-tetrazoline, tartrate(1:2)(salt)
SpectraBase Compound ID 6ZSZCJajFVW
InChI InChI=1S/C16H25N5.2C4H6O6.H2O/c1-2-3-4-5-6-10-13-20-16(17)21(19-18-20)14-15-11-8-7-9-12-15;2*5-1(3(7)8)2(6)4(9)10;/h7-9,11-12,17H,2-6,10,13-14H2,1H3;2*1-2,5-6H,(H,7,8)(H,9,10);1H2
InChIKey ONGDGXDNXUNAOG-UHFFFAOYSA-N
Mol Weight 605.598 g/mol
Molecular Formula C24H39N5O13
Exact Mass 605.254436 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BFqhu1a3otV
Name 1-BENZYL-5-IMINO-4-OCTYL-2-TETRAZOLINE, DITARTRATE (1:2), HYDRATE
Source of Sample Eastman Organic Chemicals, Rochester, New York
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H25N5 2C4H6O6 H2O
InChI InChI=1S/C16H25N5.2C4H6O6.H2O/c1-2-3-4-5-6-10-13-20-16(17)21(19-18-20)14-15-11-8-7-9-12-15;2*5-1(3(7)8)2(6)4(9)10;/h7-9,11-12,17H,2-6,10,13-14H2,1H3;2*1-2,5-6H,(H,7,8)(H,9,10);1H2
InChIKey ONGDGXDNXUNAOG-UHFFFAOYSA-N
Melting Point 78-80C
Molecular Weight 605.60
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20
Synonyms 2-TETRAZOLINE, 1-BENZYL-5-IMINO- 4-OCTYL-, TARTRATE /1 TO 2/, HYDRATE