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Abietinic acid TMS
SpectraBase Compound ID KNkI6S4p0rL
InChI InChI=1S/C23H38O2Si/c1-16(2)17-9-11-19-18(15-17)10-12-20-22(19,3)13-8-14-23(20,4)21(24)25-26(5,6)7/h10,15-16,19-20H,8-9,11-14H2,1-7H3/t19-,20?,22?,23+/m0/s1
InChIKey RXWFRYPIQODUHW-NFXUCOAQSA-N
Mol Weight 374.6 g/mol
Molecular Formula C23H38O2Si
Exact Mass 374.264107 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8IBenLGMq12
Name Abietinic acid TMS
Classification Resin acid derivative
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 374.264106997 u
Formula C23H38O2Si
InChI InChI=1S/C23H38O2Si/c1-16(2)17-9-11-19-18(15-17)10-12-20-22(19,3)13-8-14-23(20,4)21(24)25-26(5,6)7/h10,15-16,19-20H,8-9,11-14H2,1-7H3/t19-,20?,22?,23+/m0/s1
InChIKey RXWFRYPIQODUHW-NFXUCOAQSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 374.640 g/mol
Nominal Mass 374 u
Quality 964
Retention Index 2764
SMILES [C@]12(C3(C([C@](C(O[Si](C)(C)C)=O)(CCC3)C)CC=C1C=C(CC2)C(C)C)C)[H]
SPLASH splash10-0a4l-5981000000-72294d236bfbcd422358
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Abietic acid TMS trimethylsilyl (1R,4bR)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,4b,5,6,10,10a-\rdecahydrophenanthrene-1-carboxylate
Technique GC/MS
Wiley ID DD2024_032063