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(1R,4R,5S)(Z)-Sabinene hydrate acetate

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

(1R,4R,5S)(Z)-Sabinene hydrate acetate
SpectraBase Compound ID 1NHiDLF4Adr
InChI InChI=1S/C12H20O2/c1-8(2)12-6-5-11(4,10(12)7-12)14-9(3)13/h8,10H,5-7H2,1-4H3/t10-,11-,12-/m1/s1
InChIKey MYCFGFMJUUNKBN-IJLUTSLNSA-N
Mol Weight 196.29 g/mol
Molecular Formula C12H20O2
Exact Mass 196.14633 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3G19IDrKkZ9
Name (1R,4R,5S)(Z)-Sabinene hydrate acetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 196.146329882 u
Formula C12H20O2
InChI InChI=1S/C12H20O2/c1-8(2)12-6-5-11(4,10(12)7-12)14-9(3)13/h8,10H,5-7H2,1-4H3/t10-,11-,12-/m1/s1
InChIKey MYCFGFMJUUNKBN-IJLUTSLNSA-N
Molecular Weight 196.290 g/mol
SMILES [C@@]1(OC(C)=O)([C@]2(C[C@@]2(C(C)C)CC1)[H])C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.932846