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Apigenin 7-O-neohesperidoside, octa-TMS
SpectraBase Compound ID CshZ68CsqDP
InChI InChI=1S/C51H94O14Si8/c1-34-44(61-69(11,12)13)46(63-71(17,18)19)49(65-73(23,24)25)51(54-34)58-48-47(64-72(20,21)22)45(62-70(14,15)16)42(33-53-66(2,3)4)57-50(48)55-37-30-40-43(41(31-37)60-68(8,9)10)38(52)32-39(56-40)35-26-28-36(29-27-35)59-67(5,6)7/h26-32,34,42,44-51H,33H2,1-25H3
InChIKey DHZQAMNPLCBHSJ-UHFFFAOYSA-N
Mol Weight 1156.0 g/mol
Molecular Formula C51H94O14Si8
Exact Mass 1154.47977 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LXAMFVdzL8w
Name Apigenin 7-O-neohesperidoside, octa-TMS
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 1154.479769973 u
Formula C51H94O14Si8
GC Column HP-5ms (30 m × 0.25 mm ID x 0.25 μm film thickness)
InChI InChI=1S/C51H94O14Si8/c1-34-44(61-69(11,12)13)46(63-71(17,18)19)49(65-73(23,24)25)51(54-34)58-48-47(64-72(20,21)22)45(62-70(14,15)16)42(33-53-66(2,3)4)57-50(48)55-37-30-40-43(41(31-37)60-68(8,9)10)38(52)32-39(56-40)35-26-28-36(29-27-35)59-67(5,6)7/h26-32,34,42,44-51H,33H2,1-25H3
InChIKey DHZQAMNPLCBHSJ-UHFFFAOYSA-N
Molecular Weight 1155.979 g/mol
Nominal Mass 1154 u
Number of Peaks 270
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)CO[Si](C)(C)C)Oc1cc(c2C(C=C(Oc2c1)c1ccc(cc1)O[Si](C)(C)C)=O)O[Si](C)(C)C)C
SPLASH splash10-006t-2679600000-06e02174f703fff23059
Source Sigma-Aldrich
Source of Spectrum Biologically and Environmentally Important Organic Compounds: GCMS Library
Wiley ID VI001479