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5-(Methylamino)-4-hydroxy-2,2a,3,4-tetrahydro-5H-naphtho[1,8-bc]thiophene 1,1-dioxide
SpectraBase Compound ID JvZSRaaR3Ie
InChI InChI=1S/C12H15NO3S/c1-13-12-8-3-2-4-10-11(8)7(5-9(12)14)6-17(10,15)16/h2-4,7,9,12-14H,5-6H2,1H3
InChIKey RLEWIVJIPBKHKK-UHFFFAOYSA-N
Mol Weight 253.32 g/mol
Molecular Formula C12H15NO3S
Exact Mass 253.077265 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I1Bry2KtVYZ
Name 5-(Methylamino)-4-hydroxy-2,2a,3,4-tetrahydro-5H-naphtho[1,8-bc]thiophene 1,1-dioxide
Alternate Name(s) 5-(methylamino)-2a,3,4,5-tetrahydro-2H-naphtho[1,8-bc]thiophen-4-ol 1,1-dioxide
CAS Registry Number 68950-13-0
Comments Less than 3 mono-isotopic peaks
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Formula C12H15NO3S
InChI InChI=1S/C12H15NO3S/c1-13-12-8-3-2-4-10-11(8)7(5-9(12)14)6-17(10,15)16/h2-4,7,9,12-14H,5-6H2,1H3
InChIKey RLEWIVJIPBKHKK-UHFFFAOYSA-N
Molecular Weight 253.316 g/mol
SMILES N(C1c2c3c(S(CC3CC1O)(=O)=O)ccc2)C
SPLASH splash10-0a4i-0090000000-2cbf588fc84e00e89e36
Source of Spectrum J-44-1116-0
Wiley ID 1256623