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1H-Indene-1,5(6H)-dione, 7a-ethyl-2,3,7,7a-tetrahydro-4-[(phenylsulfonyl)methyl]-, (S)-
SpectraBase Compound ID ILtbxeIOV9I
InChI InChI=1S/C18H20O4S/c1-2-18-11-10-16(19)14(15(18)8-9-17(18)20)12-23(21,22)13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3/t18-/m0/s1
InChIKey OIIREZVHDIJWDQ-SFHVURJKSA-N
Mol Weight 332.41 g/mol
Molecular Formula C18H20O4S
Exact Mass 332.10823 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1c15p4N5BI5
Name 1H-Indene-1,5(6H)-dione, 7a-ethyl-2,3,7,7a-tetrahydro-4-[(phenylsulfonyl)methyl]-, (S)-
CAS Registry Number 54832-84-7
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20O4S
InChI InChI=1S/C18H20O4S/c1-2-18-11-10-16(19)14(15(18)8-9-17(18)20)12-23(21,22)13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3/t18-/m0/s1
InChIKey OIIREZVHDIJWDQ-SFHVURJKSA-N
Molecular Weight 332.414 g/mol
SMILES C1(=C2[C@](C(=O)CC2)(CC)CCC1=O)CS(=O)(=O)c1ccccc1
SPLASH splash10-004i-9002000000-ced40f83f6f56753d678
Source of Spectrum F-41-4481-18
Synonyms (7aS)-5,6,7,7a-tetrahydro-7a-ethyl-4-phenylsulfonylmethyl-indan-1,5-dione (7aS)-7a-ethyl-4-[(phenylsulfonyl)methyl]-2,3,7,7a-tetrahydro-1H-indene-1,5(6H)-dione (7aS)-4-(benzenesulfonylmethyl)-7a-ethyl-2,3,6,7-tetrahydroindene-1,5-dione (7aS)-7a-ethyl-4-(phenylsulfonylmethyl)-2,3,6,7-tetrahydroindene-1,5-dione
Wiley ID 1329324