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(1R,2S,4R)-1,2-epoxy-4-acetoxy-1,2,3,4-tetrahydro-naphthalene
SpectraBase Compound ID UDN2gnF37n
InChI InChI=1S/C12H12O3/c1-7(13)14-10-6-11-12(15-11)9-5-3-2-4-8(9)10/h2-5,10-12H,6H2,1H3/t10-,11+,12-/m1/s1
InChIKey KXFUTURBTDNGIQ-GRYCIOLGSA-N
Mol Weight 204.22 g/mol
Molecular Formula C12H12O3
Exact Mass 204.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EkE0PnJvUi4
Name (1R,2S,4R)-1,2-epoxy-4-acetoxy-1,2,3,4-tetrahydro-naphthalene
Appearance Viscous oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 204.078644243 u
Formula C12H12O3
InChI InChI=1S/C12H12O3/c1-7(13)14-10-6-11-12(15-11)9-5-3-2-4-8(9)10/h2-5,10-12H,6H2,1H3/t10-,11+,12-/m1/s1
InChIKey KXFUTURBTDNGIQ-GRYCIOLGSA-N
Instrument Name VG Autospec
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0004.705
Molecular Weight 204.225 g/mol
Optical Rotation [a]D = +184 (c = 0.8, CHCl3)
Quality 36
SMILES [C@]12(O[C@]2(C[C@](C2=C1C=CC=C2)(OC(C)=O)[H])[H])[H]
SPLASH splash10-0006-0900000000-e7884ad796de7435675c
Source of Spectrum ARK-2003-45-23 (DOI: 10.3998/ark.5550190.0004.705)
Wiley ID 1899994