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abietic acid, 1TMS
SpectraBase Compound ID BeGJgFHwCHn
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
InChIKey RXWFRYPIQODUHW-UHFFFAOYSA-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 74mORsnkDGu
Name Abietic acid, mono-TMS
CAS Registry Number 21414-50-6
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 374.264106997 u
Formula C23H38O2Si
GC Column HP-5ms (30 m × 0.25 mm ID x 0.25 μm film thickness)
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
InChIKey RXWFRYPIQODUHW-UHFFFAOYSA-N
Molecular Weight 374.640 g/mol
Nominal Mass 374 u
Number of Peaks 247
SMILES C12C(CCCC2(C2C(=CC1)C=C(C(C)C)CC2)C)(C(=O)O[Si](C)(C)C)C
SPLASH splash10-0a4l-6971000000-5b06441590450283c2a4
Source Aldrich; pine (Pinus sp.) needles, bark and roots
Source of Spectrum Biologically and Environmentally Important Organic Compounds: GCMS Library
Wiley ID VI000557