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Dehydroabietic acid, mono-TMS
SpectraBase Compound ID 6lChp7darg5
InChI InChI=1S/C23H36O2Si/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/h9,11,15-16,20H,8,10,12-14H2,1-7H3
InChIKey HSHYFFAXUHETAU-UHFFFAOYSA-N
Mol Weight 372.6 g/mol
Molecular Formula C23H36O2Si
Exact Mass 372.248457 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fg2Z5KY0Hm1
Name Dehydroabietic acid, mono-TMS
CAS Registry Number 21414-49-3
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 372.248456932 u
Formula C23H36O2Si
GC Column HP-5ms (30 m × 0.25 mm ID x 0.25 μm film thickness)
InChI InChI=1S/C23H36O2Si/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/h9,11,15-16,20H,8,10,12-14H2,1-7H3
InChIKey HSHYFFAXUHETAU-UHFFFAOYSA-N
Molecular Weight 372.624 g/mol
Nominal Mass 372 u
Number of Peaks 215
SMILES C1CCC2(C(C1(C(=O)O[Si](C)(C)C)C)CCc1c2ccc(c1)C(C)C)C
SPLASH splash10-000i-3791000000-bb20d2fa320e9e0ecaa2
Source fungus Ph. tremulae; pine (Pinus sp.) needles, bark and roots; wastewaters
Source of Spectrum Biologically and Environmentally Important Organic Compounds: GCMS Library
Wiley ID VI000556