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Abieta-(8(14),13(15)-diene
SpectraBase Compound ID JKvGrpVVpsQ
InChI InChI=1S/C20H32/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h13,17-18H,6-12H2,1-5H3/t17-,18-,20+/m0/s1
InChIKey MRRHSEMHYVQUFK-CMKODMSKSA-N
Mol Weight 272.5 g/mol
Molecular Formula C20H32
Exact Mass 272.250401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7M82pRwbyb3
Name Abieta-8(14),13(15)-diene
CAS Registry Number 57119-12-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H32
GC Column J&W DB-5 (30 m x 0.25 mm ID x 0.25 ??m film thickness)
GC Oven Program 60 ??C to 246 ??C at 3 ??C/min.
InChI InChI=1S/C20H32/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h13,17-18H,6-12H2,1-5H3/t17-,18-,20+/m0/s1
InChIKey MRRHSEMHYVQUFK-CMKODMSKSA-N
Molecular Weight 272.476 g/mol
SMILES C1(CCC[C@]2([C@]1(CCC=1[C@@]2(CCC(C1)=C(C)C)[H])[H])C)(C)C
SPLASH splash10-000i-5900000000-25d94e7fc80d1c6e5537
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID 1885763