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(+)-(3S,1E)- 4-(3-Methyl-oct-1-enyl)-ethyl benzoate
SpectraBase Compound ID 6H1B5Ah8ZZy
InChI InChI=1S/C18H26O2/c1-4-6-7-8-15(3)9-10-16-11-13-17(14-12-16)18(19)20-5-2/h9-15H,4-8H2,1-3H3/b10-9+/t15-/m0/s1
InChIKey SEIYFUZUHPEGSZ-FEAKQIBJSA-N
Mol Weight 274.4 g/mol
Molecular Formula C18H26O2
Exact Mass 274.19328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6G1DqboKLsU
Name (+)-(3S,1E)- 4-(3-Methyl-oct-1-enyl)-ethyl benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H26O2
InChI InChI=1S/C18H26O2/c1-4-6-7-8-15(3)9-10-16-11-13-17(14-12-16)18(19)20-5-2/h9-15H,4-8H2,1-3H3/b10-9+/t15-/m0/s1
InChIKey SEIYFUZUHPEGSZ-FEAKQIBJSA-N
Literature Reference DOI 10.1021/ol063097o
Molecular Weight 274.404 g/mol
SMILES c1(ccc(cc1)C(OCC)=O)\C=C\[C@](CCCCC)(C)[H]
SPLASH splash10-003r-0940000000-762caa6fd50d8ba44ff0
Source of Spectrum A1-9-1041/SMS23-(+)_(S)_8
Synonyms (S,E)-ethyl 4-(3-methyloct-1-en-1-yl)benzoate
Wiley ID 1757935