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1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-[(1S,2S,5R)-2-isopropyl-5-methyl-cyclohexyl]urea
SpectraBase Compound ID KRdNTi9RZq5
InChI InChI=1S/C17H32N2O3/c1-11(2)14-7-6-12(3)8-15(14)19-16(20)18-9-13-10-21-17(4,5)22-13/h11-15H,6-10H2,1-5H3,(H2,18,19,20)/t12-,13?,14+,15+/m1/s1
InChIKey JFXVJRIPYSAEAU-URLJDCLXSA-N
Mol Weight 312.5 g/mol
Molecular Formula C17H32N2O3
Exact Mass 312.241293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID MwcSRUlpg
Name 1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-[(1S,2S,5R)-2-isopropyl-5-methyl-cyclohexyl]urea
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H32N2O3
InChI InChI=1S/C17H32N2O3/c1-11(2)14-7-6-12(3)8-15(14)19-16(20)18-9-13-10-21-17(4,5)22-13/h11-15H,6-10H2,1-5H3,(H2,18,19,20)/t12-,13?,14+,15+/m1/s1
InChIKey JFXVJRIPYSAEAU-URLJDCLXSA-N
Ionization Type EI
Molecular Weight 312.454 g/mol
SMILES N(CC1OC(OC1)(C)C)C(=O)N[C@@]1([C@@](CC[C@](C1)(C)[H])(C(C)C)[H])[H]
SPLASH splash10-0i6r-8981000000-246b885f518e6f88099a
Source of Spectrum EP2135516B1
Wiley ID 1844985