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[1-Methyl-2-(5-methylhex-4-en-2-yl]cyclopropyl]methyl-4-Nitrobenzoate

View entire compound with spectra: 1 MS (GC)

[1-Methyl-2-(5-methylhex-4-en-2-yl]cyclopropyl]methyl-4-Nitrobenzoate
SpectraBase Compound ID CldIjlzaN9s
InChI InChI=1S/C19H25NO4/c1-13(2)5-6-14(3)17-11-19(17,4)12-24-18(21)15-7-9-16(10-8-15)20(22)23/h5,7-10,14,17H,6,11-12H2,1-4H3/t14-,17-,19-/m1/s1
InChIKey BETBBKNBFLDUKJ-LSBZLQRGSA-N
Mol Weight 331.41 g/mol
Molecular Formula C19H25NO4
Exact Mass 331.178358 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AlUnepqsTET
Name [1-Methyl-2-(5-methylhex-4-en-2-yl]cyclopropyl]methyl-4-Nitrobenzoate
Alternate Name(s) ((1S,2R)-1-methyl-2-((R)-5-methylhex-4-en-2-yl)cyclopropyl)methyl 4-nitrobenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H25NO4
InChI InChI=1S/C19H25NO4/c1-13(2)5-6-14(3)17-11-19(17,4)12-24-18(21)15-7-9-16(10-8-15)20(22)23/h5,7-10,14,17H,6,11-12H2,1-4H3/t14-,17-,19-/m1/s1
InChIKey BETBBKNBFLDUKJ-LSBZLQRGSA-N
Literature Reference DOI 10.1002/hlca.201700200
Molecular Weight 331.412 g/mol
SMILES CC(=CC[C@]([C@]1(C[C@]1(C)COC(=O)c1ccc(cc1)[N+](=O)[O-])[H])(C)[H])C
SPLASH splash10-0k92-9520000000-763e037729f7a4a1a1bd
Source of Spectrum H-100-20-14ba''_d
Wiley ID 1813722