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5(S*)-Chloro-5(S*)-methyl-3(S*)-nitro-2(R*)-phenyltetrahydropyran
SpectraBase Compound ID 14RIDDEzGQV
InChI InChI=1S/C12H14ClNO3/c1-12(13)7-10(14(15)16)11(17-8-12)9-5-3-2-4-6-9/h2-6,10-11H,7-8H2,1H3/t10-,11+,12-/m0/s1
InChIKey VQMKRJRCAYMNJC-TUAOUCFPSA-N
Mol Weight 255.7 g/mol
Molecular Formula C12H14ClNO3
Exact Mass 255.066221 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HCAVJpyMhcK
Name 5(S*)-Chloro-5(S*)-methyl-3(S*)-nitro-2(R*)-phenyltetrahydropyran
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14ClNO3
InChI InChI=1S/C12H14ClNO3/c1-12(13)7-10(14(15)16)11(17-8-12)9-5-3-2-4-6-9/h2-6,10-11H,7-8H2,1H3/t10-,11+,12-/m0/s1
InChIKey VQMKRJRCAYMNJC-TUAOUCFPSA-N
Molecular Weight 255.701 g/mol
SMILES [C@]1(N(=O)=O)([C@](OC[C@](C1)(Cl)C)(c1ccccc1)[H])[H]
SPLASH splash10-0a4i-3920000000-c1846100a9b1539043e0
Source of Spectrum F-68-1534-22Ea
Wiley ID 1707777