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Lactulose oxime, nona-TMS, isomer 1
SpectraBase Compound ID oEh4wYsMVQ
InChI InChI=1S/C39H95NO11Si9/c1-52(2,3)41-28-31(40-51-60(25,26)27)34(47-56(13,14)15)35(33(46-55(10,11)12)30-43-54(7,8)9)45-39-38(50-59(22,23)24)37(49-58(19,20)21)36(48-57(16,17)18)32(44-39)29-42-53(4,5)6/h32-39H,28-30H2,1-27H3/b40-31+
InChIKey XJKWPCMIXDBLTC-MNIDXLESSA-N
Mol Weight 1006.9 g/mol
Molecular Formula C39H95NO11Si9
Exact Mass 1005.482852 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 404WDAKLkJl
Name Lactulose oxime, nona-TMS, isomer 1
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 1005.482851687 u
Formula C39H95NO11Si9
GC Column HP-5ms (30 m × 0.25 mm ID x 0.25 μm film thickness)
InChI InChI=1S/C39H95NO11Si9/c1-52(2,3)41-28-31(40-51-60(25,26)27)34(47-56(13,14)15)35(33(46-55(10,11)12)30-43-54(7,8)9)45-39-38(50-59(22,23)24)37(49-58(19,20)21)36(48-57(16,17)18)32(44-39)29-42-53(4,5)6/h32-39H,28-30H2,1-27H3/b40-31+
InChIKey XJKWPCMIXDBLTC-MNIDXLESSA-N
Molecular Weight 1006.950 g/mol
Nominal Mass 1005 u
Number of Peaks 328
SMILES C(\C(=N\O[Si](C)(C)C)CO[Si](C)(C)C)(O[Si](C)(C)C)C(C(O[Si](C)(C)C)CO[Si](C)(C)C)OC1OC(C(C(C1O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)CO[Si](C)(C)C
SPLASH splash10-0w91-3695100000-f0f75d938132963771f5
Source A. Zalewski
Source of Spectrum Biologically and Environmentally Important Organic Compounds: GCMS Library
Wiley ID VI000878