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(-)-(1R,3R,4S)-Menthylisocyanate
SpectraBase Compound ID 8IFt2q6nEkJ
InChI InChI=1S/C11H19NO/c1-8(2)10-5-4-9(3)6-11(10)12-7-13/h8-11H,4-6H2,1-3H3/t9-,10+,11-/m1/s1
InChIKey DALTWRUIQGCZGM-OUAUKWLOSA-N
Mol Weight 181.28 g/mol
Molecular Formula C11H19NO
Exact Mass 181.146664 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2IBR5HfKh6q
Name (-)-(1R,3R,4S)-Menthylisocyanate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H19NO
InChI InChI=1S/C11H19NO/c1-8(2)10-5-4-9(3)6-11(10)12-7-13/h8-11H,4-6H2,1-3H3/t9-,10+,11-/m1/s1
InChIKey DALTWRUIQGCZGM-OUAUKWLOSA-N
Molecular Weight 181.279 g/mol
SMILES [C@]1([C@@](CC[C@](C1)(C)[H])(C(C)C)[H])(N=C=O)[H]
SPLASH splash10-008a-9500000000-385f07738edf64e826d1
Source of Spectrum C5-2003-2693-8
Synonyms (1S,2R,4R)-2-isocyanato-1-isopropyl-4-methylcyclohexane (1S,2R,4R)-2-isocyanato-4-methyl-1-propan-2-ylcyclohexane (1S,2R,4R)-2-isocyanato-4-methyl-1-propan-2-yl-cyclohexane
Wiley ID 1616230