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(1R,2S,5R)-(-)Menthyl 2-Oxocycloheptanecarboxylate
SpectraBase Compound ID 9FIwXHu9seV
InChI InChI=1S/C18H30O3/c1-12(2)14-10-9-13(3)11-17(14)21-18(20)15-7-5-4-6-8-16(15)19/h12-15,17H,4-11H2,1-3H3/t13-,14+,15?,17-/m1/s1
InChIKey JZXWGPYYTTWSAH-KJFZJZGVSA-N
Mol Weight 294.44 g/mol
Molecular Formula C18H30O3
Exact Mass 294.219495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7qt7T3NVtWo
Name (1R,2S,5R)-(-)Menthyl 2-Oxocycloheptanecarboxylate
Alternate Name(s) (1R,2S,5R)-2-isopropyl-5-methylcyclohexyl 2-oxocycloheptanecarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H30O3
InChI InChI=1S/C18H30O3/c1-12(2)14-10-9-13(3)11-17(14)21-18(20)15-7-5-4-6-8-16(15)19/h12-15,17H,4-11H2,1-3H3/t13-,14+,15?,17-/m1/s1
InChIKey JZXWGPYYTTWSAH-KJFZJZGVSA-N
Molecular Weight 294.435 g/mol
SMILES C(C1C(=O)CCCCC1)(O[C@]1([C@@](CC[C@](C1)(C)[H])(C(C)C)[H])[H])=O
SPLASH splash10-0a4i-9400000000-19a2790ad1b8fabbc9d7
Source of Spectrum J-57-1008-4
Wiley ID 1297497