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2-(2,8-diisopropyl-3-thioxo-1,4-benzoxazin-4-yl)acetic acid
SpectraBase Compound ID 8tUbMJD0U0Z
InChI InChI=1S/C16H21NO3S/c1-9(2)11-6-5-7-12-15(11)20-14(10(3)4)16(21)17(12)8-13(18)19/h5-7,9-10,14H,8H2,1-4H3,(H,18,19)
InChIKey CLDJCRWXLDLJLO-UHFFFAOYSA-N
Mol Weight 307.41 g/mol
Molecular Formula C16H21NO3S
Exact Mass 307.124215 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8H7HnoVKvQ7
Name 2-(2,8-diisopropyl-3-thioxo-1,4-benzoxazin-4-yl)acetic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21NO3S
InChI InChI=1S/C16H21NO3S/c1-9(2)11-6-5-7-12-15(11)20-14(10(3)4)16(21)17(12)8-13(18)19/h5-7,9-10,14H,8H2,1-4H3,(H,18,19)
InChIKey CLDJCRWXLDLJLO-UHFFFAOYSA-N
Molecular Weight 307.408 g/mol
SMILES OC(CN1C(C(Oc2c1cccc2C(C)C)C(C)C)=S)=O
SPLASH splash10-00di-2192000000-f37b2638efe15bf2bfe6
Synonyms 2-[2,8-di(propan-2-yl)-3-sulfanylidene-1,4-benzoxazin-4-yl]acetic acid 2-[2,8-di(propan-2-yl)-3-sulfanylidene-1,4-benzoxazin-4-yl]ethanoic acid
Wiley ID 1451936