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Callitrin
SpectraBase Compound ID J2trWyRVsDB
InChI InChI=1S/C15H22O2/c1-6-15(5)8-13-11(7-12(15)9(2)3)10(4)14(16)17-13/h6,10-13H,1-2,7-8H2,3-5H3/t10-,11-,12-,13-,15+/m1/s1
InChIKey HHMGIPSZHRMYCD-HVNMYJMUSA-N
Mol Weight 234.34 g/mol
Molecular Formula C15H22O2
Exact Mass 234.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IUVcKgJQLAN
Name Callitrin
CAS Registry Number 66964-63-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22O2
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/C15H22O2/c1-6-15(5)8-13-11(7-12(15)9(2)3)10(4)14(16)17-13/h6,10-13H,1-2,7-8H2,3-5H3/t10-,11-,12-,13-,15+/m1/s1
InChIKey HHMGIPSZHRMYCD-HVNMYJMUSA-N
Molecular Weight 234.339 g/mol
SMILES C1(O[C@]2([C@@]([C@]1(C)[H])(C[C@@]([C@@](C2)(C)C=C)(C(=C)C)[H])[H])[H])=O
SPLASH splash10-014l-9500000000-1f8102e71b041a11d915
Source ex CALITRUS COLUMINARIS WOOD OIL ex IAN SOUTHWELL
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID 1887233