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Aw03FJ9zLwG
spectrumID
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Aw03FJ9zLwG
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13C NMR
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13C Nuclear Magnetic Resonance (NMR) Spectrum
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(1S,2S,5R)-(+)-Neomenthol
SpectraBase Compound ID 8aVPFi1ogf1
InChI InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9+,10+/m1/s1
InChIKey NOOLISFMXDJSKH-UTLUCORTSA-N
Mol Weight 156.27 g/mol
Molecular Formula C10H20O
Exact Mass 156.151415 g/mol
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13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Aw03FJ9zLwG
Name (1S,2S,5R)-(+)-Neomenthol
Source of Sample Sigma Solvent: 100 % CDCl3, Reference: 0.5 % TMS pH n/a, temperature 298K Data Source: Madison Metabolomics Consortium
Acquisition Mode SIMULTANEOUS
CAS Registry Number 89-78-1; 15356-60-2
ChEBI ID 15402
Copyright Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved.
Data Source Madison Metabolomics Consortium
Formula C10 H20 O
IUPAC Name (1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol; (1S,2S,5R)-2-isopropyl-5-methyl-cyclohexan-1-ol; (1S,2S,5R)-2-isopropyl-5-methyl-1-cyclohexanol; (1S,2S,5R)-5-methyl-2-propan-2-yl-cyclohexan-1-ol
InChI InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9+,10+/m1/s1
InChIKey NOOLISFMXDJSKH-UTLUCORTSA-N
KEGG Compound ID C00553
KEGG Pathways PATH: ko00902 Monoterpenoid biosynthesis
PubChem Compound ID 439263
SMILES CC1CCC(C(C1)O)C(C)C; C[C@@H]1CC[C@H]([C@H](C1)O)C(C)C
Source File Reference bmse000498
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