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Ethyl tiglate
SpectraBase Compound ID EwTBfEEbXx5
InChI InChI=1S/C7H12O2/c1-4-6(3)7(8)9-5-2/h4H,5H2,1-3H3/b6-4+
InChIKey OAPHLAAOJMTMLY-GQCTYLIASA-N
Mol Weight 128.17 g/mol
Molecular Formula C7H12O2
Exact Mass 128.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7kX5bixUqwp
Name Ethyl tiglate
CAS Registry Number 5837-78-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H12O2
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/C7H12O2/c1-4-6(3)7(8)9-5-2/h4H,5H2,1-3H3/b6-4+
InChIKey OAPHLAAOJMTMLY-GQCTYLIASA-N
Molecular Weight 128.171 g/mol
SMILES C(OCC)(=O)\C(=C\C)C
SPLASH splash10-0kai-9200000000-58943ddeec13a72f1b30
Source ex BEDOUKIAN ex JJ BROPHY
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID 1887381