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(+)-(1S)-trans-1,3,trans-1,4-MENTHOL, ACETATE
SpectraBase Compound ID TN94jdCVPi
InChI InChI=1S/C12H22O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h8-9,11-12H,5-7H2,1-4H3/t9-,11+,12+/m1/s1
InChIKey XHXUANMFYXWVNG-USWWRNFRSA-N
Mol Weight 198.31 g/mol
Molecular Formula C12H22O2
Exact Mass 198.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F1N2N0rainF
Name neo-Menthyl acetate
CAS Registry Number 2230-87-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22O2
GC Column J&W DB-5 (30 m x 0.25 mm ID x 0.25 ??m film thickness)
GC Oven Program 60 ??C to 246 ??C at 3 ??C/min.
InChI InChI=1S/C12H22O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h8-9,11-12H,5-7H2,1-4H3/t9-,11+,12+/m1/s1
InChIKey XHXUANMFYXWVNG-USWWRNFRSA-N
Molecular Weight 198.306 g/mol
SMILES CC(C)[C@]1([C@@](OC(C)=O)(C[C@@](CC1)(C)[H])[H])[H]
SPLASH splash10-000y-9100000000-c611d148eef059cd30cd
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Synonyms Menthyl acetate
Wiley ID 1886678