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1,3-XYLYL-15-CROWN-4, 2-  (PINANDIOL-B-ADDUCT)
SpectraBase Compound ID 8ANSSRQEWyA
InChI InChI=1S/C24H35BO6/c1-23(2)19-13-20(23)24(3)21(14-19)30-25(31-24)22-17-5-4-6-18(22)16-29-12-10-27-8-7-26-9-11-28-15-17/h4-6,19-21H,7-16H2,1-3H3/t19-,20+,21-,24+/m1/s1
InChIKey QMTHXHXZVDYEET-WHLIWEHUSA-N
Mol Weight 430.3 g/mol
Molecular Formula C24H35BO6
Exact Mass 430.252669 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2aS8iVAKkij
Name 1,3-XYLYL-15-CROWN-4, 2- (PINANDIOL-B-ADDUCT)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C24H35BO6
InChI InChI=1S/C24H35BO6/c1-23(2)19-13-20(23)24(3)21(14-19)30-25(31-24)22-17-5-4-6-18(22)16-29-12-10-27-8-7-26-9-11-28-15-17/h4-6,19-21H,7-16H2,1-3H3/t19-,20+,21-,24+/m1/s1
InChIKey QMTHXHXZVDYEET-WHLIWEHUSA-N
Instrument Name 311A
Molecular Weight 430.2517
SMILES c1(B2O[C@@]3(C)[C@]4(C[C@@](C4(C)C)(C[C@]3(O2)[H])[H])[H])c2COCCOCCOCCOCc1ccc2
SPLASH splash10-000e-6910000000-fe2532ad2f9a02ac6983
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany