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4,5,6,7-Tetrahydrobenz[z]isoxazole-5-ol-4-one, 3-[9-tridecenyl]-
SpectraBase Compound ID F57wxtcpqBK
InChI InChI=1S/C20H31NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-18(24-21-16)15-14-17(22)20(19)23/h4-5,17,22H,2-3,6-15H2,1H3/b5-4+
InChIKey JDSDVPSNYJIAET-SNAWJCMRSA-N
Mol Weight 333.47 g/mol
Molecular Formula C20H31NO3
Exact Mass 333.230394 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 79mthszC3tP
Name 4,5,6,7-Tetrahydrobenz[z]isoxazole-5-ol-4-one, 3-[9-tridecenyl]-
CAS Registry Number 117968-70-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H31NO3
InChI InChI=1S/C20H31NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-18(24-21-16)15-14-17(22)20(19)23/h4-5,17,22H,2-3,6-15H2,1H3/b5-4+
InChIKey JDSDVPSNYJIAET-SNAWJCMRSA-N
Molecular Weight 333.472 g/mol
SMILES OC1C(c2c(onc2CCCCCCCC\C=C\CCC)CC1)=O
SPLASH splash10-0aor-9200000000-b2e9c6789a755c6eb3a8
Source of Spectrum F-44-1595-4
Synonyms 5-Hydroxy-3-[(9E)-9-tridecenyl]-6,7-dihydro-1,2-benzisoxazol-4(5H)-one 5-Hydroxy-3-[(E)-tridec-9-enyl]-6,7-dihydro-5H-1,2-benzoxazol-4-one 5-Hydroxy-3-[(E)-tridec-9-enyl]-6,7-dihydro-5H-indoxazen-4-one 5-Oxidanyl-3-[(E)-tridec-9-enyl]-6,7-dihydro-5H-1,2-benzoxazol-4-one
Wiley ID 1330374