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Methyl 4-[(6S)-6-butanoyloxycyclohexen-1-yl]benzoate
SpectraBase Compound ID AvF3bCvBJoI
InChI InChI=1S/C18H22O4/c1-3-6-17(19)22-16-8-5-4-7-15(16)13-9-11-14(12-10-13)18(20)21-2/h7,9-12,16H,3-6,8H2,1-2H3/t16-/m0/s1
InChIKey UKRFRXLXLQVOJK-INIZCTEOSA-N
Mol Weight 302.37 g/mol
Molecular Formula C18H22O4
Exact Mass 302.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D40XIU9eN95
Name Methyl 4-[(6S)-6-butanoyloxycyclohexen-1-yl]benzoate
Appearance Yellow viscous oil
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Formula C18H22O4
InChI InChI=1S/C18H22O4/c1-3-6-17(19)22-16-8-5-4-7-15(16)13-9-11-14(12-10-13)18(20)21-2/h7,9-12,16H,3-6,8H2,1-2H3/t16-/m0/s1
InChIKey UKRFRXLXLQVOJK-INIZCTEOSA-N
Instrument Name Hewlett-Packard 5971
Ionization Type EI
Literature Reference DOI 10.1021/acs.orglett.1c01375
SMILES c1(ccc(cc1)C1=CCCC[C@@]1(OC(CCC)=O)[H])C(=O)OC
SPLASH splash10-03di-0590000000-d8b9cd7a12870d160420
Source of Spectrum A1-23-SM10-5ma
Wiley ID 1867992