Debug Info

object
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_id
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2ODkvaoOTt7
spectrumID
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2ODkvaoOTt7
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trans-5-Phenylthio-4-oxocyclohex-2-enyl benzoate
SpectraBase Compound ID KVR8q1spr0I
InChI InChI=1S/C19H16O3S/c20-17-12-11-15(22-19(21)14-7-3-1-4-8-14)13-18(17)23-16-9-5-2-6-10-16/h1-12,15,18H,13H2/t15-,18+/m0/s1
InChIKey MPCNZEVZYBLFJV-MAUKXSAKSA-N
Mol Weight 324.39 g/mol
Molecular Formula C19H16O3S
Exact Mass 324.082016 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2ODkvaoOTt7
Name trans-5-Phenylthio-4-oxocyclohex-2-enyl benzoate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H16O3S
InChI InChI=1S/C19H16O3S/c20-17-12-11-15(22-19(21)14-7-3-1-4-8-14)13-18(17)23-16-9-5-2-6-10-16/h1-12,15,18H,13H2/t15-,18+/m0/s1
InChIKey MPCNZEVZYBLFJV-MAUKXSAKSA-N
Molecular Weight 324.394 g/mol
SMILES C(O[C@@]1(C[C@@](Sc2ccccc2)(C(C=C1)=O)[H])[H])(=O)c1ccccc1
SPLASH splash10-0pk9-5900000000-008a6f3b32d0aba022ad
Source of Spectrum QC-11-4480-10
Synonyms (1R,5R)-4-oxo-5-(phenylsulfanyl)-2-cyclohexen-1-yl benzoate
Wiley ID 860192
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