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Cellotriose, undeca-TMS, peak 1
SpectraBase Compound ID C9ecSTSIsS4
InChI InChI=1S/C51H120O16Si11/c1-68(2,3)52-34-37-40(58-50-47(65-76(25,26)27)45(63-74(19,20)21)42(60-71(10,11)12)39(56-50)36-54-70(7,8)9)43(61-72(13,14)15)46(64-75(22,23)24)49(55-37)59-41-38(35-53-69(4,5)6)57-51(67-78(31,32)33)48(66-77(28,29)30)44(41)62-73(16,17)18/h37-51H,34-36H2,1-33H3
InChIKey HRWJJBNPTMIKSP-UHFFFAOYSA-N
Mol Weight 1298.4 g/mol
Molecular Formula C51H120O16Si11
Exact Mass 1296.60383 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J1kDnmUP7y1
Name Cellotriose, undeca-TMS, peak 2
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 1296.603829653 u
Formula C51H120O16Si11
GC Column HP-5ms (30 m × 0.25 mm ID x 0.25 μm film thickness)
InChI InChI=1S/C51H120O16Si11/c1-68(2,3)52-34-37-40(58-50-47(65-76(25,26)27)45(63-74(19,20)21)42(60-71(10,11)12)39(56-50)36-54-70(7,8)9)43(61-72(13,14)15)46(64-75(22,23)24)49(55-37)59-41-38(35-53-69(4,5)6)57-51(67-78(31,32)33)48(66-77(28,29)30)44(41)62-73(16,17)18/h37-51H,34-36H2,1-33H3
InChIKey HRWJJBNPTMIKSP-UHFFFAOYSA-N
Molecular Weight 1298.440 g/mol
Nominal Mass 1296 u
Number of Peaks 232
SMILES C1(OC(C(C(C1O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)OC1C(OC(C(C1O[Si](C)(C)C)O[Si](C)(C)C)OC1C(OC(C(C1O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)CO[Si](C)(C)C)CO[Si](C)(C)C)CO[Si](C)(C)C
SPLASH splash10-0udi-2492000000-0c55e1004247d2b5bd8c
Source Sigma-Aldrich
Source of Spectrum Biologically and Environmentally Important Organic Compounds: GCMS Library
Wiley ID VI000382