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2,5-Methanothiopyrano[3,2-b]pyrrol-8-ol, octahydro-1-methyl-, acetate (ester), (2.alpha.,3a.beta.,5.alpha.,7a.beta.,8S*)-
SpectraBase Compound ID 5XSOeLRJ4WJ
InChI InChI=1S/C11H17NO2S/c1-6(13)14-11-8-5-10-7(12(8)2)3-4-9(11)15-10/h7-11H,3-5H2,1-2H3/t7-,8-,9-,10-,11-/m1/s1
InChIKey GIQAXZDOXFIDEI-ISUQUUIWSA-N
Mol Weight 227.32 g/mol
Molecular Formula C11H17NO2S
Exact Mass 227.098 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A4WLiJAVPFz
Name 2,5-Methanothiopyrano[3,2-b]pyrrol-8-ol, octahydro-1-methyl-, acetate (ester), (2.alpha.,3a.beta.,5.alpha.,7a.beta.,8S*)-
CAS Registry Number 62545-37-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H17NO2S
InChI InChI=1S/C11H17NO2S/c1-6(13)14-11-8-5-10-7(12(8)2)3-4-9(11)15-10/h7-11H,3-5H2,1-2H3/t7-,8-,9-,10-,11-/m1/s1
InChIKey GIQAXZDOXFIDEI-ISUQUUIWSA-N
Molecular Weight 227.322 g/mol
SMILES C1[C@@]2([C@@](OC(=O)C)([C@]3(CC[C@]([C@@]1(S3)[H])(N2C)[H])[H])[H])[H]
SPLASH splash10-000y-9400000000-ee87eb538ef2c4e96c34
Wiley ID 1488929