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Methyl 9 - (m-isopropylphenyl) - 2,6 - dimethyl - trans - 6 - nonen - oate
SpectraBase Compound ID Hp5rXDAFn9Q
InChI InChI=1S/C21H32O2/c1-16(2)20-14-8-13-19(15-20)12-7-10-17(3)9-6-11-18(4)21(22)23-5/h8,11,13-17H,6-7,9-10,12H2,1-5H3/b18-11+
InChIKey VDKVUZIWHSCGME-WOJGMQOQSA-N
Mol Weight 316.5 g/mol
Molecular Formula C21H32O2
Exact Mass 316.24023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I76KvaToxWp
Name Methyl 9 - (m-isopropylphenyl) - 2,6 - dimethyl - trans - 6 - nonen - oate
CAS Registry Number 17393-04-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32O2
InChI InChI=1S/C21H32O2/c1-16(2)20-14-8-13-19(15-20)12-7-10-17(3)9-6-11-18(4)21(22)23-5/h8,11,13-17H,6-7,9-10,12H2,1-5H3/b18-11+
InChIKey VDKVUZIWHSCGME-WOJGMQOQSA-N
Molecular Weight 316.485 g/mol
SMILES C(\C(=C\CCC(CCCc1cc(C(C)C)ccc1)C)C)(=O)OC
SPLASH splash10-0007-4900000000-189c79240e964b7d6650
Source of Spectrum Va-0-0-0
Synonyms Methyl (2E)-9-(3-isopropylphenyl)-2,6-dimethyl-2-nonenoate Methyl 9-(3-isopropylphenyl)-2,6-dimethyl-6(E)-nonen-oate Methyl 9-(3-isopropylphenyl)-2,6-dimethyl-trans-6-nonen-oate
Wiley ID 740757