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ARISTOFONE
SpectraBase Compound ID Ilf7x5KegQb
InChI InChI=1S/C15H22O/c1-9-6-5-7-10-8-11(16)12-13(14(12,2)3)15(9,10)4/h8-9,12-13H,5-7H2,1-4H3/t9-,12-,13+,15+/m1/s1
InChIKey UGVIZCBJCSXBCJ-JWFUOXDNSA-N
Mol Weight 218.34 g/mol
Molecular Formula C15H22O
Exact Mass 218.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 80FPfX0BQ1r
Name Aristolone
CAS Registry Number 6831-17-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22O
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/C15H22O/c1-9-6-5-7-10-8-11(16)12-13(14(12,2)3)15(9,10)4/h8-9,12-13H,5-7H2,1-4H3/t9-,12-,13+,15+/m1/s1
InChIKey UGVIZCBJCSXBCJ-JWFUOXDNSA-N
Molecular Weight 218.340 g/mol
SMILES [C@]12(C)[C@]3([C@@](C(C=C2CCC[C@]1(C)[H])=O)(C3(C)C)[H])[H]
SPLASH splash10-00mo-6920000000-17abbccca53090ba6a57
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID 1885866