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(1R,2S,5R)-Menthyl (2S,3S)-2-neopentyl-3-methyl-2,3-dihydrofuran-3-carboxylate
SpectraBase Compound ID DjKnyS3Eb0e
InChI InChI=1S/C21H36O3/c1-14(2)16-9-8-15(3)12-17(16)24-19(22)21(7)10-11-23-18(21)13-20(4,5)6/h10-11,14-18H,8-9,12-13H2,1-7H3/t15-,16+,17-,18+,21+/m1/s1
InChIKey XMVMWTDPVHPYJN-ATOXUGOLSA-N
Mol Weight 336.5 g/mol
Molecular Formula C21H36O3
Exact Mass 336.266445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5FVutZTeuuz
Name (1R,2S,5R)-Menthyl (2S,3S)-2-neopentyl-3-methyl-2,3-dihydrofuran-3-carboxylate
Alternate Name(s) (1R,2S,5R)-2-isopropyl-5-methylcyclohexyl (2S,3S)-3-methyl-2-neopentyl-2,3-dihydro-3-furancarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H36O3
InChI InChI=1S/C21H36O3/c1-14(2)16-9-8-15(3)12-17(16)24-19(22)21(7)10-11-23-18(21)13-20(4,5)6/h10-11,14-18H,8-9,12-13H2,1-7H3/t15-,16+,17-,18+,21+/m1/s1
InChIKey XMVMWTDPVHPYJN-ATOXUGOLSA-N
Molecular Weight 336.516 g/mol
SMILES [C@]1(C(O[C@]2([C@@](CC[C@](C2)(C)[H])(C(C)C)[H])[H])=O)([C@@](OC=C1)(CC(C)(C)C)[H])C
SPLASH splash10-0udi-5900000000-ef8fb4dea2c8f2c3d585
Source of Spectrum QF-9-5733-4
Wiley ID 1559097